#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgg s ASP 5 N 0.00 6.39 0.29 4.31 3.68 -1.26 -4.89 116.67 125.19 2jgg s ASP 5 Ca 0.00 1.41 0.24 0.00 2.13 0.00 0.00 52.55 56.33 2jgg s ASP 5 Cb 0.00 -2.53 1.05 0.00 -1.45 0.00 0.00 42.92 39.99 2jgg s ASP 5 CO 0.00 -1.29 1.72 -2.65 0.13 0.00 0.00 175.17 173.08 2jgg n PRO 6 N 7.71 0.20 0.26 4.34 -0.02 -1.26 -0.29 135.00 145.94 2jgg n PRO 6 Ca 0.18 0.48 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 2jgg n PRO 6 Cb 0.46 -1.91 0.63 0.00 -0.02 0.00 0.00 33.50 32.65 2jgg n PRO 6 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2jgg h GLN 7 N 0.00 0.00 -0.37 -0.52 1.08 -2.03 -3.16 115.11 110.11 2jgg h GLN 7 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jgg h GLN 7 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2jgg h GLN 7 CO 0.00 0.07 0.00 1.28 -0.95 0.00 0.00 178.83 179.23 2jgg n LEU 8 N -3.20 3.25 -4.60 1.46 4.77 0.60 -4.85 117.00 114.43 2jgg n LEU 8 Ca 0.00 -1.58 -0.35 0.00 -0.03 0.00 0.00 56.01 54.05 2jgg n LEU 8 Cb 0.34 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 2jgg n LEU 8 CO 0.29 0.72 -0.26 -0.76 -1.33 0.00 0.00 177.39 176.05 2jgg s LEU 9 N -1.28 3.73 -0.00 2.23 1.43 -1.19 -0.68 118.68 122.91 2jgg s LEU 9 Ca 0.34 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2jgg s LEU 9 Cb 0.20 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 2jgg s LEU 9 CO 0.27 0.15 -0.06 -0.69 0.23 0.00 0.00 176.35 176.24 2jgg s VAL 10 N 0.51 0.51 -0.40 -1.59 1.01 -0.89 -5.00 120.40 114.55 2jgg s VAL 10 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 2jgg s VAL 10 Cb -0.13 -0.43 0.09 0.00 0.00 0.00 0.00 36.38 35.91 2jgg s VAL 10 CO 0.01 0.13 0.21 -0.60 0.00 0.00 0.00 175.10 174.86 2jgg s ARG 11 N -0.18 2.37 0.75 2.72 3.52 -1.26 -0.57 118.95 126.30 2jgg s ARG 11 Ca 0.02 -1.58 -0.03 0.00 -0.13 0.00 0.00 55.73 54.01 2jgg s ARG 11 Cb -0.03 -3.64 0.13 0.00 -1.56 0.00 0.00 34.95 29.85 2jgg s ARG 11 CO -0.00 -0.97 1.03 0.14 -0.81 0.00 0.00 175.30 174.69 2jgg s VAL 12 N 1.30 2.14 0.58 7.11 -7.23 -0.33 -4.92 120.40 119.05 2jgg s VAL 12 Ca 0.04 -0.50 0.28 0.00 -1.81 0.00 0.00 61.98 59.99 2jgg s VAL 12 Cb -0.23 -2.64 0.35 0.00 0.56 0.00 0.00 36.38 34.42 2jgg s VAL 12 CO -0.01 0.00 2.22 0.03 -0.31 0.00 0.00 175.10 177.03 2jgg h ARG 13 N -0.67 0.00 -0.01 4.82 3.08 -1.94 -2.69 114.38 116.97 2jgg h ARG 13 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2jgg h ARG 13 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2jgg h ARG 13 CO 0.41 0.00 -0.49 0.41 -1.07 0.00 0.00 179.97 179.23 2jgg n GLY 14 N -1.36 -0.13 0.00 0.04 0.00 -1.26 -4.96 105.19 97.51 2jgg n GLY 14 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2jgg n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgg n GLY 15 N 1.31 0.54 3.72 -0.02 0.00 -1.01 -0.62 105.19 109.11 2jgg n GLY 15 Ca 0.07 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 2jgg n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jgg s GLN 16 N -2.00 2.88 0.08 1.61 -0.21 -1.24 -1.19 119.66 119.59 2jgg s GLN 16 Ca 0.00 -0.57 0.08 0.00 0.02 0.00 0.00 55.36 54.88 2jgg s GLN 16 Cb 0.00 -2.74 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 2jgg s GLN 16 CO 0.00 0.63 -0.20 -0.51 -2.12 0.00 0.00 175.29 173.09 2jgg s LEU 17 N -1.65 2.26 -0.17 2.90 1.43 0.27 0.08 118.68 123.80 2jgg s LEU 17 Ca 0.21 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2jgg s LEU 17 Cb -0.12 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.26 2jgg s LEU 17 CO 0.12 0.07 -0.15 -0.60 0.23 0.00 0.00 176.35 176.02 2jgg s ARG 18 N -1.70 2.45 0.66 1.70 3.52 -0.55 -2.10 118.95 122.93 2jgg s ARG 18 Ca 0.06 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 2jgg s ARG 18 Cb -0.10 -2.30 0.14 0.00 -1.56 0.00 0.00 34.95 31.13 2jgg s ARG 18 CO 0.03 -0.27 0.90 0.41 -0.81 0.00 0.00 175.30 175.57 2jgg n GLY 19 N 4.71 0.14 3.41 8.12 0.00 0.14 -0.93 105.19 120.78 2jgg n GLY 19 Ca -0.18 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 2jgg n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jgg s ILE 20 N -2.76 2.26 -0.22 -0.61 2.07 -0.21 -4.81 121.20 116.91 2jgg s ILE 20 Ca 0.57 -2.11 -0.14 0.00 -1.41 0.00 0.00 60.65 57.56 2jgg s ILE 20 Cb -0.03 -2.11 -0.04 0.00 0.13 0.00 0.00 42.46 40.41 2jgg s ILE 20 CO 0.38 -0.24 0.33 -0.60 -1.91 0.00 0.00 174.94 172.90 2jgg s ARG 21 N -2.93 4.11 0.23 3.50 3.52 -1.26 -0.85 118.95 125.27 2jgg s ARG 21 Ca 0.22 0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.94 2jgg s ARG 21 Cb -0.07 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2jgg s ARG 21 CO 0.10 -0.06 0.03 -0.51 -0.81 0.00 0.00 175.30 174.06 2jgg s LEU 22 N 1.38 3.33 -0.27 -0.88 1.43 0.14 -4.95 118.68 118.87 2jgg s LEU 22 Ca 0.15 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 2jgg s LEU 22 Cb -0.15 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2jgg s LEU 22 CO 0.07 0.03 0.10 -0.75 0.23 0.00 0.00 176.35 176.03 2jgg s LYS 23 N -3.45 3.58 0.21 1.70 2.47 -1.26 -1.44 119.74 121.55 2jgg s LYS 23 Ca 0.30 -0.54 0.08 0.00 -1.56 0.00 0.00 55.97 54.25 2jgg s LYS 23 Cb -0.08 -3.40 -0.04 0.00 -1.46 0.00 0.00 37.83 32.85 2jgg s LYS 23 CO 0.20 -0.25 0.04 0.00 0.16 0.00 0.00 175.35 175.51 2jgg s ALA 24 N 1.62 3.29 0.32 3.13 0.00 0.00 -4.99 121.76 125.13 2jgg s ALA 24 Ca 0.06 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 50.62 2jgg s ALA 24 Cb -0.16 -1.02 0.63 0.00 0.00 0.00 0.00 23.12 22.58 2jgg s ALA 24 CO 0.05 0.39 1.91 -1.35 0.00 0.00 0.00 175.76 176.75 2jgg h PRO 25 N 2.26 0.87 -0.34 0.00 0.11 -1.98 -1.91 132.00 131.02 2jgg h PRO 25 Ca -0.47 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 2jgg h PRO 25 Cb 1.22 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 2jgg h PRO 25 CO 0.60 0.58 0.00 0.41 -0.21 0.00 0.00 178.00 179.38 2jgg n GLY 26 N -1.41 4.41 0.00 -0.55 0.00 -1.26 -5.05 105.19 101.33 2jgg n GLY 26 Ca 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2jgg n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgg n GLY 27 N -0.79 0.62 3.90 -0.02 0.00 -0.72 -5.06 105.19 103.12 2jgg n GLY 27 Ca 0.28 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 2jgg n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jgg s PRO 28 N -1.99 3.63 0.03 1.61 0.05 -1.26 -0.82 135.00 136.25 2jgg s PRO 28 Ca 0.00 0.17 0.01 0.00 0.05 0.00 0.00 61.00 61.22 2jgg s PRO 28 Cb 0.00 -2.49 -0.02 0.00 0.05 0.00 0.00 34.50 32.04 2jgg s PRO 28 CO 0.00 0.00 -0.04 0.14 0.05 0.00 0.00 177.00 177.15 2jgg s VAL 29 N -2.40 0.23 -0.24 -0.36 -7.23 -0.52 -3.55 120.40 106.33 2jgg s VAL 29 Ca 0.47 -0.95 -0.18 0.00 -1.81 0.00 0.00 61.98 59.51 2jgg s VAL 29 Cb -0.10 -0.35 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 2jgg s VAL 29 CO 0.36 -0.46 0.53 -0.44 -0.31 0.00 0.00 175.10 174.77 2jgg s SER 30 N -1.47 6.48 -0.09 4.85 0.01 -0.74 0.26 113.70 123.00 2jgg s SER 30 Ca -0.14 0.58 -0.02 0.00 1.31 0.00 0.00 55.95 57.69 2jgg s SER 30 Cb -0.10 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2jgg s SER 30 CO -0.01 -0.26 -0.01 0.00 0.41 0.00 0.00 173.24 173.37 2jgg s ALA 31 N 2.12 3.20 -0.42 1.44 0.00 -0.03 -1.69 121.76 126.39 2jgg s ALA 31 Ca 0.22 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2jgg s ALA 31 Cb -0.16 -1.44 0.12 0.00 0.00 0.00 0.00 23.12 21.64 2jgg s ALA 31 CO 0.09 0.55 0.16 -0.06 0.00 0.00 0.00 175.76 176.50 2jgg s PHE 32 N -0.75 3.06 -0.10 0.00 0.40 0.15 -1.05 117.98 119.69 2jgg s PHE 32 Ca 0.12 -2.85 -0.03 0.00 -0.60 0.00 0.00 56.93 53.57 2jgg s PHE 32 Cb -0.11 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 40.78 2jgg s PHE 32 CO 0.02 -0.84 0.03 -0.51 0.70 0.00 0.00 175.22 174.62 2jgg s LEU 33 N 0.44 3.71 0.00 -0.37 1.43 -0.00 -1.61 118.68 122.29 2jgg s LEU 33 Ca 0.14 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2jgg s LEU 33 Cb -0.22 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2jgg s LEU 33 CO -0.06 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.50 2jgg n GLY 34 N 2.23 0.71 3.68 -3.19 0.00 -1.11 -3.47 105.19 104.04 2jgg n GLY 34 Ca -0.19 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 2jgg n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jgg s ILE 35 N -2.00 4.42 0.10 -0.61 1.01 -0.31 -4.80 121.20 119.01 2jgg s ILE 35 Ca 0.00 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.07 2jgg s ILE 35 Cb 0.00 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 2jgg s ILE 35 CO 0.00 -0.05 1.04 -2.16 0.00 0.00 0.00 174.94 173.76 2jgg s PRO 36 N 2.59 4.61 0.00 2.79 0.04 -1.26 -0.42 135.00 143.35 2jgg s PRO 36 Ca 0.53 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2jgg s PRO 36 Cb -0.21 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2jgg s PRO 36 CO 0.17 0.06 0.33 1.97 0.04 0.00 0.00 177.00 179.57 2jgg n PHE 37 N 3.04 0.00 -3.79 0.56 1.16 -1.08 -4.84 117.46 112.50 2jgg n PHE 37 Ca 0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.49 2jgg n PHE 37 Cb 0.48 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.26 2jgg n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jgg s ALA 38 N -0.25 -0.64 0.18 1.98 0.00 -1.25 -3.24 121.76 118.53 2jgg s ALA 38 Ca 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 51.96 51.86 2jgg s ALA 38 Cb 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 23.12 23.01 2jgg s ALA 38 CO 0.00 -0.24 1.28 0.39 0.00 0.00 0.00 175.76 177.20 2jgg n GLU 39 N 1.45 1.47 -1.67 0.00 -0.58 -0.45 -4.56 120.64 116.30 2jgg n GLU 39 Ca -0.21 0.52 -0.48 0.00 -0.42 0.00 0.00 57.16 56.57 2jgg n GLU 39 Cb 0.56 -2.11 -0.05 0.00 -0.57 0.00 0.00 31.44 29.28 2jgg n GLU 39 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jgg n PRO 40 N 2.06 2.10 -1.25 3.49 -0.02 -1.26 -4.63 135.00 135.49 2jgg n PRO 40 Ca 0.15 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 62.05 2jgg n PRO 40 Cb 0.26 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.12 2jgg n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jgg n PRO 41 N 5.13 3.40 -4.20 0.52 -0.04 -1.26 -4.87 135.00 133.68 2jgg n PRO 41 Ca 0.20 -1.99 -0.23 0.00 -0.04 0.00 0.00 63.50 61.45 2jgg n PRO 41 Cb 0.28 -2.66 -0.06 0.00 -0.04 0.00 0.00 33.50 31.02 2jgg n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jgg s VAL 42 N 1.98 3.43 0.00 0.52 -7.23 -1.26 -3.49 120.40 114.34 2jgg s VAL 42 Ca 0.69 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 2jgg s VAL 42 Cb 0.20 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 34.18 2jgg s VAL 42 CO -0.05 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 2jgg n GLY 43 N -1.03 2.27 0.21 2.32 0.00 -1.26 -1.38 105.19 106.33 2jgg n GLY 43 Ca -0.05 0.27 0.15 0.00 0.00 0.00 0.00 46.02 46.38 2jgg n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jgg h SER 44 N 0.00 0.00 0.87 1.61 4.64 -1.93 -2.89 113.55 115.85 2jgg h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jgg h SER 44 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jgg h SER 44 CO 0.00 0.00 -0.31 0.54 -0.87 0.00 0.00 176.83 176.19 2jgg n ARG 45 N -2.81 0.11 -1.62 4.77 5.12 -0.48 -4.85 116.66 116.90 2jgg n ARG 45 Ca 0.02 0.05 -0.46 0.00 -1.93 0.00 0.00 57.85 55.54 2jgg n ARG 45 Cb 0.35 -1.59 -0.02 0.00 -1.16 0.00 0.00 32.46 30.04 2jgg n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2jgg n ARG 46 N -1.75 1.55 -0.71 5.56 0.63 -1.09 -0.85 116.66 119.99 2jgg n ARG 46 Ca 0.05 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 2jgg n ARG 46 Cb 0.37 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 31.24 2jgg n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2jgg n PHE 47 N 1.03 0.00 -3.99 -0.14 3.72 -1.26 -4.95 117.46 111.87 2jgg n PHE 47 Ca 0.11 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.28 2jgg n PHE 47 Cb 0.30 -0.87 -0.03 0.00 -0.94 0.00 0.00 39.48 37.94 2jgg n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jgg s MET 48 N -0.59 3.32 0.38 -1.08 -1.94 -0.03 -4.27 119.30 115.10 2jgg s MET 48 Ca 0.00 -0.76 -0.26 0.00 -1.71 0.00 0.00 55.69 52.96 2jgg s MET 48 Cb 0.00 -2.85 -0.11 0.00 2.01 0.00 0.00 34.83 33.88 2jgg s MET 48 CO 0.00 0.46 1.09 -2.30 -0.01 0.00 0.00 175.02 174.26 2jgg n PRO 49 N -1.02 1.55 -1.61 2.03 -0.02 -1.26 -4.93 135.00 129.74 2jgg n PRO 49 Ca -0.08 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.62 2jgg n PRO 49 Cb 0.56 -2.09 0.06 0.00 -0.02 0.00 0.00 33.50 32.01 2jgg n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jgg s PRO 50 N -1.93 2.55 0.10 0.52 0.04 -1.26 -5.07 135.00 129.95 2jgg s PRO 50 Ca 0.61 1.45 0.10 0.00 0.04 0.00 0.00 61.00 63.19 2jgg s PRO 50 Cb -0.58 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2jgg s PRO 50 CO 0.58 -1.46 -0.24 -1.21 0.04 0.00 0.00 177.00 174.71 2jgg s GLU 51 N -4.15 1.37 0.30 4.56 2.02 -1.26 -5.04 118.70 116.49 2jgg s GLU 51 Ca 0.68 -1.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.16 2jgg s GLU 51 Cb -0.22 -1.72 -0.13 0.00 0.10 0.00 0.00 34.13 32.16 2jgg s GLU 51 CO 0.44 0.41 1.23 -2.30 0.02 0.00 0.00 175.26 175.07 2jgg n PRO 52 N 1.18 1.84 -1.79 0.39 -0.02 -1.26 -1.33 135.00 134.01 2jgg n PRO 52 Ca -0.18 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 2jgg n PRO 52 Cb 0.53 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.82 2jgg n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jgg s LYS 53 N -1.38 4.11 0.41 -0.52 2.47 -1.20 -4.08 119.74 119.55 2jgg s LYS 53 Ca 0.60 2.58 -0.24 0.00 -1.56 0.00 0.00 55.97 57.35 2jgg s LYS 53 Cb -0.64 -2.99 -0.09 0.00 -1.46 0.00 0.00 37.83 32.65 2jgg s LYS 53 CO 0.58 -0.58 1.05 1.03 0.16 0.00 0.00 175.35 177.60 2jgg s ARG 54 N -1.45 4.11 0.83 4.03 0.52 -1.26 -4.89 118.95 120.84 2jgg s ARG 54 Ca 0.57 1.51 -0.14 0.00 -0.52 0.00 0.00 55.73 57.15 2jgg s ARG 54 Cb -0.47 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 32.53 2jgg s ARG 54 CO 0.57 -0.19 0.66 -2.30 0.02 0.00 0.00 175.30 174.07 2jgg n PRO 55 N -0.17 0.04 -4.34 3.54 -0.02 -1.26 -5.03 135.00 127.76 2jgg n PRO 55 Ca 0.05 0.07 -0.17 0.00 -2.02 0.00 0.00 63.50 61.43 2jgg n PRO 55 Cb 0.50 -2.00 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 2jgg n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2jgg s TRP 56 N -2.16 1.59 0.11 6.00 -2.14 0.21 -5.03 118.94 117.52 2jgg s TRP 56 Ca 0.64 -0.82 0.02 0.00 2.66 0.00 0.00 56.10 58.60 2jgg s TRP 56 Cb -0.28 -0.89 -0.04 0.00 -3.10 0.00 0.00 33.47 29.16 2jgg s TRP 56 CO 0.60 0.08 0.19 -1.54 -2.66 0.00 0.00 176.95 173.62 2jgg s SER 57 N -3.31 6.06 0.77 -2.66 1.04 -1.26 -4.60 113.70 109.73 2jgg s SER 57 Ca 0.26 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2jgg s SER 57 Cb 0.04 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.39 2jgg s SER 57 CO 0.08 0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.03 2jgg n GLY 58 N -0.02 1.35 3.22 7.32 0.00 -1.26 -4.66 105.19 111.14 2jgg n GLY 58 Ca -0.07 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 2jgg n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgg s VAL 59 N 0.00 3.06 -0.10 1.61 1.01 -1.26 -3.65 120.40 121.08 2jgg s VAL 59 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 2jgg s VAL 59 Cb 0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2jgg s VAL 59 CO 0.00 0.12 1.14 -0.22 0.00 0.00 0.00 175.10 176.14 2jgg s LEU 60 N 1.34 4.24 -0.04 3.92 2.96 0.11 -4.87 118.68 126.34 2jgg s LEU 60 Ca -0.01 1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 55.30 2jgg s LEU 60 Cb -0.17 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 2jgg s LEU 60 CO -0.03 -0.58 1.62 -0.62 -1.32 0.00 0.00 176.35 175.43 2jgg s ASP 61 N 1.41 6.69 -0.37 3.68 -1.08 -1.26 -1.48 116.67 124.26 2jgg s ASP 61 Ca 0.53 2.23 0.13 0.00 -0.52 0.00 0.00 52.55 54.92 2jgg s ASP 61 Cb -0.22 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.13 2jgg s ASP 61 CO 0.19 -0.90 0.96 0.00 0.52 0.00 0.00 175.17 175.94 2jgg n ALA 62 N 6.80 3.75 0.09 3.66 0.00 -0.11 -4.83 120.51 129.87 2jgg n ALA 62 Ca 0.17 -3.57 0.02 0.00 0.00 0.00 0.00 53.44 50.05 2jgg n ALA 62 Cb 0.43 -0.82 0.03 0.00 0.00 0.00 0.00 19.45 19.09 2jgg n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jgg n THR 63 N -0.14 0.38 -3.89 0.00 -2.24 -1.23 -0.82 114.28 106.35 2jgg n THR 63 Ca 0.20 -0.69 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 2jgg n THR 63 Cb 0.73 0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 69.72 2jgg n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jgg s THR 64 N -0.61 0.07 0.43 4.28 -1.32 -1.24 -4.81 115.64 112.44 2jgg s THR 64 Ca 0.07 -0.54 -0.25 0.00 -1.21 0.00 0.00 61.69 59.76 2jgg s THR 64 Cb 0.04 -0.31 -0.08 0.00 -1.51 0.00 0.00 72.50 70.64 2jgg s THR 64 CO 0.06 -0.30 1.24 -0.36 -2.21 0.00 0.00 174.62 173.05 2jgg s PHE 65 N -0.98 2.85 0.43 9.09 0.08 -1.26 -3.32 117.98 124.87 2jgg s PHE 65 Ca -0.11 1.47 -0.05 0.00 0.12 0.00 0.00 56.93 58.37 2jgg s PHE 65 Cb -0.06 -3.54 0.09 0.00 -0.57 0.00 0.00 43.02 38.94 2jgg s PHE 65 CO 0.01 -1.83 0.59 1.04 -0.10 0.00 0.00 175.22 174.93 2jgg n GLN 66 N -0.13 -0.30 -1.27 0.44 1.13 -1.26 -4.88 117.38 111.11 2jgg n GLN 66 Ca 0.05 -1.12 -0.33 0.00 -1.94 0.00 0.00 57.00 53.66 2jgg n GLN 66 Cb 0.45 -0.54 0.11 0.00 0.11 0.00 0.00 30.24 30.37 2jgg n GLN 66 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2jgg s ASN 67 N -3.22 3.96 -0.06 1.08 0.01 -1.26 -4.84 114.94 110.61 2jgg s ASN 67 Ca 0.35 2.27 -0.20 0.00 -0.71 0.00 0.00 52.86 54.57 2jgg s ASN 67 Cb -0.01 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 2jgg s ASN 67 CO 0.24 -2.42 0.57 -0.69 -1.51 0.00 0.00 177.10 173.30 2jgg s VAL 68 N -2.20 5.04 0.33 1.60 1.01 -0.71 -4.71 120.40 120.75 2jgg s VAL 68 Ca 0.72 1.18 -0.27 0.00 0.00 0.00 0.00 61.98 63.60 2jgg s VAL 68 Cb -0.27 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 2jgg s VAL 68 CO 0.49 0.35 1.11 0.00 0.00 0.00 0.00 175.10 177.05 2jgg s TYR 70 N -1.11 2.03 0.08 0.00 5.04 -0.81 -4.70 117.35 117.88 2jgg s TYR 70 Ca 0.58 -0.10 -0.22 0.00 -2.44 0.00 0.00 57.07 54.89 2jgg s TYR 70 Cb -0.63 -4.21 0.06 0.00 0.35 0.00 0.00 41.96 37.53 2jgg s TYR 70 CO 0.60 -5.04 0.53 1.14 -1.34 0.00 0.00 175.55 171.45 2jgg s GLN 71 N 2.92 1.10 0.30 4.97 -2.07 -1.26 -4.62 119.66 121.00 2jgg s GLN 71 Ca 0.82 -0.34 -0.29 0.00 -1.82 0.00 0.00 55.36 53.74 2jgg s GLN 71 Cb -0.46 0.50 -0.13 0.00 -1.09 0.00 0.00 33.01 31.83 2jgg s GLN 71 CO 0.37 -0.42 1.24 0.98 -1.32 0.00 0.00 175.29 176.14 2jgg n TYR 72 N 0.14 1.95 -4.60 9.60 4.19 -1.26 -5.01 117.16 122.18 2jgg n TYR 72 Ca -0.18 0.57 -0.33 0.00 3.31 0.00 0.00 57.90 61.27 2jgg n TYR 72 Cb 0.62 -2.38 -0.13 0.00 0.49 0.00 0.00 39.34 37.94 2jgg n TYR 72 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jgg s VAL 73 N -0.79 3.42 0.26 2.97 1.01 -1.26 -4.86 120.40 121.15 2jgg s VAL 73 Ca 0.60 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2jgg s VAL 73 Cb -0.63 -2.47 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 2jgg s VAL 73 CO 0.58 0.51 1.43 -0.62 0.00 0.00 0.00 175.10 177.00 2jgg s ASP 74 N 0.37 6.66 -0.03 3.32 -1.08 -1.26 -4.93 116.67 119.72 2jgg s ASP 74 Ca -0.08 2.67 0.04 0.00 -0.52 0.00 0.00 52.55 54.67 2jgg s ASP 74 Cb -0.15 -2.63 0.07 0.00 -1.46 0.00 0.00 42.92 38.75 2jgg s ASP 74 CO 0.04 -0.69 0.96 0.35 0.52 0.00 0.00 175.17 176.35 2jgg n THR 75 N 2.14 0.49 -0.01 1.71 -2.24 -1.26 -4.85 114.28 110.27 2jgg n THR 75 Ca 0.06 -0.58 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 2jgg n THR 75 Cb 0.40 0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 2jgg n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jgg h LEU 76 N 0.00 0.11 -6.34 3.22 5.85 -2.01 -3.38 115.31 112.76 2jgg h LEU 76 Ca 0.00 -0.24 -0.59 0.00 0.84 0.00 0.00 57.88 57.89 2jgg h LEU 76 Cb 1.19 -0.03 -0.41 0.00 0.37 0.00 0.00 40.66 41.79 2jgg h LEU 76 CO 0.00 0.32 -0.79 -1.22 -0.34 0.00 0.00 178.44 176.41 2jgg n TYR 77 N -4.90 1.77 -1.69 1.25 4.01 -1.26 -5.10 117.16 111.23 2jgg n TYR 77 Ca -0.06 -3.89 -0.44 0.00 -0.16 0.00 0.00 57.90 53.34 2jgg n TYR 77 Cb 0.15 -0.39 -0.04 0.00 -0.31 0.00 0.00 39.34 38.76 2jgg n TYR 77 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2jgg n PRO 78 N 1.52 2.36 -0.33 -0.72 -0.02 -1.26 -1.34 135.00 135.21 2jgg n PRO 78 Ca 0.25 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 2jgg n PRO 78 Cb 0.44 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2jgg n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgg n GLY 79 N 3.38 2.09 3.68 -1.23 0.00 -1.26 -5.01 105.19 106.84 2jgg n GLY 79 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2jgg n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jgg s PHE 80 N -3.24 3.06 0.27 1.61 5.36 -0.45 -4.95 117.98 119.65 2jgg s PHE 80 Ca 0.00 1.13 -0.04 0.00 -0.96 0.00 0.00 56.93 57.06 2jgg s PHE 80 Cb 0.00 -3.46 0.35 0.00 -0.34 0.00 0.00 43.02 39.57 2jgg s PHE 80 CO 0.00 -1.49 1.92 1.49 -1.46 0.00 0.00 175.22 175.68 2jgg h GLU 81 N 7.71 1.22 0.00 10.12 4.57 -1.95 -0.39 114.58 135.86 2jgg h GLU 81 Ca -0.32 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2jgg h GLU 81 Cb 1.14 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2jgg h GLU 81 CO 0.91 0.81 0.00 0.78 -1.18 0.00 0.00 179.01 180.33 2jgg h GLY 82 N 1.26 0.00 0.00 1.92 0.00 -1.92 -2.18 103.07 102.15 2jgg h GLY 82 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.40 2jgg h GLY 82 CO -0.11 0.00 -2.13 -1.30 0.00 0.00 0.00 176.54 173.00 2jgg n THR 83 N -2.84 1.13 0.18 4.70 -2.24 -0.78 -4.58 114.28 109.85 2jgg n THR 83 Ca -0.01 -0.40 0.18 0.00 -2.27 0.00 0.00 64.05 61.54 2jgg n THR 83 Cb 0.13 -1.32 0.81 0.00 -2.10 0.00 0.00 70.33 67.85 2jgg n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jgg h GLU 84 N -0.16 0.00 0.00 -0.78 4.39 -1.03 -1.49 114.58 115.51 2jgg h GLU 84 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2jgg h GLU 84 Cb 1.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 2jgg h GLU 84 CO -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.73 2jgg h MET 85 N 0.00 0.00 0.00 2.33 -0.00 -1.64 -1.09 114.93 114.53 2jgg h MET 85 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.76 2jgg h MET 85 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.18 2jgg h MET 85 CO -0.00 0.00 -1.99 0.91 -0.00 0.00 0.00 176.91 175.83 2jgg n TRP 86 N -2.83 0.00 -1.13 -0.10 7.02 -0.56 -4.77 117.44 115.07 2jgg n TRP 86 Ca -0.01 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.14 2jgg n TRP 86 Cb 0.14 -0.53 0.12 0.00 -2.42 0.00 0.00 31.31 28.62 2jgg n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2jgg s ASN 87 N -4.49 3.66 0.22 -0.99 0.01 -0.41 -4.67 114.94 108.26 2jgg s ASN 87 Ca -0.08 2.31 -0.32 0.00 -0.71 0.00 0.00 52.86 54.07 2jgg s ASN 87 Cb 0.12 -2.58 -0.12 0.00 0.41 0.00 0.00 41.25 39.08 2jgg s ASN 87 CO 0.84 -2.62 1.67 -2.84 -1.51 0.00 0.00 177.10 172.65 2jgg s PRO 88 N -4.20 4.14 -0.18 -0.60 0.02 -1.26 -4.89 135.00 128.03 2jgg s PRO 88 Ca 0.72 2.56 0.16 0.00 0.02 0.00 0.00 61.00 64.46 2jgg s PRO 88 Cb -0.27 -3.08 0.67 0.00 0.02 0.00 0.00 34.50 31.84 2jgg s PRO 88 CO 0.51 -0.71 1.59 0.27 -0.33 0.00 0.00 177.00 178.33 2jgg n ASN 89 N 3.67 4.74 -4.02 2.53 6.94 -1.26 -4.96 115.26 122.90 2jgg n ASN 89 Ca 0.14 -2.80 -0.13 0.00 -0.02 0.00 0.00 54.58 51.78 2jgg n ASN 89 Cb 0.36 -0.59 -0.09 0.00 -2.36 0.00 0.00 39.78 37.11 2jgg n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jgg s ARG 90 N -2.48 1.36 0.18 -3.83 1.81 -1.26 -5.08 118.95 109.65 2jgg s ARG 90 Ca 0.48 -1.62 -0.32 0.00 -1.72 0.00 0.00 55.73 52.55 2jgg s ARG 90 Cb 0.35 0.32 -0.11 0.00 -0.45 0.00 0.00 34.95 35.06 2jgg s ARG 90 CO 0.15 -0.48 1.68 -1.21 -0.68 0.00 0.00 175.30 174.76 2jgg s GLU 91 N -4.00 4.16 0.56 3.54 0.41 -1.26 -4.60 118.70 117.51 2jgg s GLU 91 Ca 0.36 2.51 -0.20 0.00 -0.41 0.00 0.00 54.97 57.23 2jgg s GLU 91 Cb 0.05 -3.19 -0.05 0.00 -1.78 0.00 0.00 34.13 29.16 2jgg s GLU 91 CO 0.14 -0.72 1.23 -0.51 -0.49 0.00 0.00 175.26 174.91 2jgg s LEU 92 N 1.45 3.77 -0.13 1.80 1.43 -1.26 -1.75 118.68 123.99 2jgg s LEU 92 Ca 0.74 2.44 -0.30 0.00 -1.03 0.00 0.00 54.13 55.98 2jgg s LEU 92 Cb -0.47 -4.47 0.12 0.00 0.03 0.00 0.00 46.19 41.40 2jgg s LEU 92 CO 0.32 -1.45 0.95 -0.55 0.23 0.00 0.00 176.35 175.85 2jgg s SER 93 N -1.43 -0.40 0.28 2.29 0.15 -0.63 -4.84 113.70 109.13 2jgg s SER 93 Ca 0.74 0.38 0.26 0.00 0.70 0.00 0.00 55.95 58.02 2jgg s SER 93 Cb -0.32 0.34 0.87 0.00 -1.71 0.00 0.00 66.02 65.20 2jgg s SER 93 CO 0.36 -0.41 1.76 -0.33 1.20 0.00 0.00 173.24 175.82 2jgg h GLU 94 N 2.53 0.00 -5.05 5.44 5.08 -1.94 -2.16 114.58 118.48 2jgg h GLU 94 Ca -0.20 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.48 2jgg h GLU 94 Cb 1.17 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.25 2jgg h GLU 94 CO 0.32 0.00 0.74 0.34 -1.00 0.00 0.00 179.01 179.41 2jgg s ASP 95 N -4.71 6.54 0.00 1.42 -1.08 -1.26 -4.29 116.67 113.29 2jgg s ASP 95 Ca 0.07 -1.87 0.00 0.00 -0.52 0.00 0.00 52.55 50.24 2jgg s ASP 95 Cb 0.10 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 2jgg s ASP 95 CO 0.53 -1.12 0.15 0.00 0.52 0.00 0.00 175.17 175.25 2jgg s LEU 97 N 0.00 3.62 0.04 0.00 1.43 -1.26 -4.57 118.68 117.94 2jgg s LEU 97 Ca 0.00 -1.98 0.01 0.00 -1.03 0.00 0.00 54.13 51.13 2jgg s LEU 97 Cb 0.00 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2jgg s LEU 97 CO 0.00 -1.56 -0.05 -0.31 0.23 0.00 0.00 176.35 174.67 2jgg s TYR 98 N 5.48 0.51 0.28 0.29 2.02 -1.26 -2.65 117.35 122.02 2jgg s TYR 98 Ca 0.54 -0.70 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 2jgg s TYR 98 Cb 0.02 -0.33 -0.06 0.00 -0.40 0.00 0.00 41.96 41.19 2jgg s TYR 98 CO 0.03 -0.20 -0.03 -0.48 -1.57 0.00 0.00 175.55 173.29 2jgg s LEU 99 N -2.05 2.41 0.05 -1.29 0.05 0.44 -0.36 118.68 117.93 2jgg s LEU 99 Ca -0.05 -1.23 0.06 0.00 0.05 0.00 0.00 54.13 52.95 2jgg s LEU 99 Cb -0.04 -0.55 -0.03 0.00 -2.05 0.00 0.00 46.19 43.52 2jgg s LEU 99 CO -0.03 -0.41 -0.17 0.20 -0.55 0.00 0.00 176.35 175.39 2jgg s ASN 100 N -3.44 1.98 -0.07 1.48 0.01 0.13 -1.16 114.94 113.87 2jgg s ASN 100 Ca 0.31 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.93 2jgg s ASN 100 Cb 0.05 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.61 2jgg s ASN 100 CO 0.12 0.05 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.02 2jgg s VAL 101 N -0.95 0.66 -0.08 1.60 1.01 -0.63 -0.85 120.40 121.17 2jgg s VAL 101 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2jgg s VAL 101 Cb -0.09 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2jgg s VAL 101 CO 0.02 0.28 -0.01 0.26 0.00 0.00 0.00 175.10 175.65 2jgg s TRP 102 N 1.32 3.13 0.07 5.22 0.51 -0.32 0.33 118.94 129.19 2jgg s TRP 102 Ca -0.04 0.17 0.00 0.00 -2.12 0.00 0.00 56.10 54.11 2jgg s TRP 102 Cb -0.14 -1.77 -0.04 0.00 -0.81 0.00 0.00 33.47 30.72 2jgg s TRP 102 CO -0.02 0.45 -0.05 0.95 -0.51 0.00 0.00 176.95 177.77 2jgg s THR 103 N -0.89 0.43 0.89 2.01 -4.23 -0.68 -0.93 115.64 112.23 2jgg s THR 103 Ca 0.14 -1.71 -0.14 0.00 -1.18 0.00 0.00 61.69 58.79 2jgg s THR 103 Cb -0.11 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.33 2jgg s THR 103 CO 0.03 -0.85 0.30 -0.81 -0.54 0.00 0.00 174.62 172.75 2jgg n PRO 104 N 0.31 -0.09 -3.98 3.99 -0.04 -1.26 -1.78 135.00 132.15 2jgg n PRO 104 Ca -0.15 0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 2jgg n PRO 104 Cb 0.60 -1.75 -0.16 0.00 -0.04 0.00 0.00 33.50 32.16 2jgg n PRO 104 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2jgg s TYR 105 N -2.21 2.51 0.73 0.54 5.04 -1.23 -2.51 117.35 120.22 2jgg s TYR 105 Ca 0.57 -1.75 -0.11 0.00 -2.44 0.00 0.00 57.07 53.34 2jgg s TYR 105 Cb -0.25 -1.64 0.03 0.00 0.35 0.00 0.00 41.96 40.45 2jgg s TYR 105 CO 0.66 -0.77 1.07 -1.25 -1.34 0.00 0.00 175.55 173.92 2jgg s PRO 106 N 1.36 2.61 0.26 4.97 0.04 -1.26 -4.76 135.00 138.21 2jgg s PRO 106 Ca -0.04 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 61.71 2jgg s PRO 106 Cb -0.18 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 2jgg s PRO 106 CO -0.07 -1.35 1.55 2.89 0.04 0.00 0.00 177.00 180.06 2jgg n ARG 107 N -3.31 2.47 -1.70 4.56 1.85 -1.04 -4.85 116.66 114.64 2jgg n ARG 107 Ca 0.08 0.88 -0.38 0.00 -1.00 0.00 0.00 57.85 57.43 2jgg n ARG 107 Cb 0.53 -2.63 0.05 0.00 -1.05 0.00 0.00 32.46 29.36 2jgg n ARG 107 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2jgg n PRO 108 N 2.41 1.40 0.27 2.89 -0.04 -1.26 -4.96 135.00 135.71 2jgg n PRO 108 Ca 0.11 0.52 -0.16 0.00 -0.04 0.00 0.00 63.50 63.93 2jgg n PRO 108 Cb 0.34 -2.44 -0.08 0.00 -0.04 0.00 0.00 33.50 31.28 2jgg n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jgg h ALA 109 N 1.09 -0.65 -2.25 0.55 0.00 -1.95 -3.45 119.26 112.60 2jgg h ALA 109 Ca -0.50 -0.17 -0.48 0.00 0.00 0.00 0.00 54.91 53.77 2jgg h ALA 109 Cb 1.33 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2jgg h ALA 109 CO 0.55 -0.80 -0.26 -1.54 0.00 0.00 0.00 179.25 177.19 2jgg s SER 110 N -4.70 6.31 -0.39 0.00 1.04 -1.26 -5.06 113.70 109.64 2jgg s SER 110 Ca -0.16 0.35 -0.43 0.00 0.48 0.00 0.00 55.95 56.19 2jgg s SER 110 Cb 0.03 -1.99 -0.17 0.00 0.10 0.00 0.00 66.02 63.99 2jgg s SER 110 CO 0.59 -0.22 1.73 -2.65 0.98 0.00 0.00 173.24 173.68 2jgg n PRO 111 N -1.59 0.61 -4.32 4.02 -0.02 -1.26 -4.91 135.00 127.53 2jgg n PRO 111 Ca -0.06 0.22 -0.35 0.00 -2.02 0.00 0.00 63.50 61.29 2jgg n PRO 111 Cb 0.56 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 32.11 2jgg n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jgg s THR 112 N 3.65 4.33 0.06 3.45 2.01 -0.49 -4.70 115.64 123.95 2jgg s THR 112 Ca 1.03 -0.23 -0.38 0.00 0.31 0.00 0.00 61.69 62.43 2jgg s THR 112 Cb -1.27 -2.85 -0.18 0.00 0.01 0.00 0.00 72.50 68.21 2jgg s THR 112 CO 0.72 0.57 1.17 -2.65 -0.69 0.00 0.00 174.62 173.74 2jgg n PRO 113 N 2.52 0.57 -3.75 4.92 -0.02 -1.26 0.25 135.00 138.23 2jgg n PRO 113 Ca -0.18 0.20 -0.36 0.00 -2.02 0.00 0.00 63.50 61.14 2jgg n PRO 113 Cb 0.53 -1.75 -0.07 0.00 -0.02 0.00 0.00 33.50 32.20 2jgg n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jgg s VAL 114 N 0.16 5.40 -0.20 -1.45 1.01 0.07 -3.09 120.40 122.30 2jgg s VAL 114 Ca 0.86 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 2jgg s VAL 114 Cb -1.09 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 2jgg s VAL 114 CO 0.52 0.53 -0.02 -0.76 0.00 0.00 0.00 175.10 175.36 2jgg s LEU 115 N -0.38 3.12 -0.21 3.92 1.43 0.17 -1.13 118.68 125.59 2jgg s LEU 115 Ca 0.14 -0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2jgg s LEU 115 Cb -0.12 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2jgg s LEU 115 CO 0.03 0.06 0.01 -0.63 0.23 0.00 0.00 176.35 176.05 2jgg s ILE 116 N 1.01 3.94 -0.17 -0.59 1.01 0.03 0.61 121.20 127.03 2jgg s ILE 116 Ca 0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 2jgg s ILE 116 Cb -0.14 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 2jgg s ILE 116 CO 0.01 0.41 0.18 0.86 0.00 0.00 0.00 174.94 176.40 2jgg s TRP 117 N 1.20 3.45 -0.17 3.97 -0.11 0.12 -0.58 118.94 126.82 2jgg s TRP 117 Ca 0.03 0.44 0.00 0.00 1.22 0.00 0.00 56.10 57.79 2jgg s TRP 117 Cb -0.15 -2.19 0.01 0.00 -1.50 0.00 0.00 33.47 29.65 2jgg s TRP 117 CO 0.01 0.34 -0.16 0.42 -4.62 0.00 0.00 176.95 172.94 2jgg s ILE 118 N 0.19 2.50 0.80 5.86 1.01 -0.02 -3.79 121.20 127.75 2jgg s ILE 118 Ca 0.11 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 2jgg s ILE 118 Cb -0.12 -2.06 0.07 0.00 0.01 0.00 0.00 42.46 40.36 2jgg s ILE 118 CO 0.01 0.51 1.09 -0.72 0.00 0.00 0.00 174.94 175.83 2jgg s TYR 119 N 1.09 2.75 0.00 3.97 -0.85 -1.26 -3.40 117.35 119.66 2jgg s TYR 119 Ca -0.00 1.26 0.00 0.00 -0.52 0.00 0.00 57.07 57.81 2jgg s TYR 119 Cb -0.14 -3.08 0.00 0.00 0.38 0.00 0.00 41.96 39.12 2jgg s TYR 119 CO -0.05 -1.81 0.00 0.41 -1.52 0.00 0.00 175.55 172.58 2jgg n GLY 120 N -1.80 0.91 0.00 5.49 0.00 -1.10 -2.02 105.19 106.68 2jgg n GLY 120 Ca 0.07 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2jgg n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgg n GLY 121 N 5.00 1.91 2.20 -0.02 0.00 -1.26 -4.15 105.19 108.87 2jgg n GLY 121 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2jgg n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgg n GLY 122 N -0.18 1.10 2.81 -0.02 0.00 -1.26 -0.16 105.19 107.47 2jgg n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jgg n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgg n PHE 123 N -2.27 0.00 0.13 1.61 3.72 -1.26 -4.79 117.46 114.59 2jgg n PHE 123 Ca -0.16 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.28 2jgg n PHE 123 Cb 0.52 -1.04 -0.04 0.00 -0.94 0.00 0.00 39.48 37.98 2jgg n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jgg n TYR 124 N -2.33 0.00 -3.67 1.38 0.18 0.77 -0.33 117.16 113.17 2jgg n TYR 124 Ca 0.00 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 2jgg n TYR 124 Cb 0.21 -0.08 -0.01 0.00 -0.38 0.00 0.00 39.34 39.08 2jgg n TYR 124 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2jgg n SER 125 N -1.47 -0.70 0.00 9.48 3.41 0.34 -3.98 113.62 120.70 2jgg n SER 125 Ca -0.00 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 2jgg n SER 125 Cb 0.13 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 2jgg n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jgg n GLY 126 N -0.25 2.90 3.52 5.00 0.00 -1.26 -4.15 105.19 110.95 2jgg n GLY 126 Ca -0.01 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 2jgg n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgg s ALA 127 N -2.88 -1.80 -2.06 4.61 0.00 -1.26 -4.69 121.76 113.68 2jgg s ALA 127 Ca 0.00 1.19 0.13 0.00 0.00 0.00 0.00 51.96 53.28 2jgg s ALA 127 Cb 0.00 0.04 0.41 0.00 0.00 0.00 0.00 23.12 23.57 2jgg s ALA 127 CO 0.00 -0.49 1.32 0.00 0.00 0.00 0.00 175.76 176.59 2jgg n ALA 128 N 0.38 2.47 0.38 0.00 0.00 -1.26 -3.70 120.51 118.79 2jgg n ALA 128 Ca -0.14 -0.56 0.05 0.00 0.00 0.00 0.00 53.44 52.79 2jgg n ALA 128 Cb 0.60 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 19.09 2jgg n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jgg n SER 129 N 0.41 1.87 -4.74 0.00 3.41 -1.26 -4.91 113.62 108.40 2jgg n SER 129 Ca 0.12 -1.44 -0.35 0.00 -0.26 0.00 0.00 58.87 56.94 2jgg n SER 129 Cb 0.29 -0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.29 2jgg n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jgg s LEU 130 N -0.83 3.48 0.26 1.04 1.43 -1.24 -4.92 118.68 117.90 2jgg s LEU 130 Ca 0.12 2.41 -0.05 0.00 -1.03 0.00 0.00 54.13 55.58 2jgg s LEU 130 Cb 0.08 -4.60 0.29 0.00 0.03 0.00 0.00 46.19 42.00 2jgg s LEU 130 CO 0.12 -1.97 1.91 0.44 0.23 0.00 0.00 176.35 177.08 2jgg h ASP 131 N 0.27 1.08 0.27 2.29 3.32 -1.95 -2.41 116.42 119.29 2jgg h ASP 131 Ca -0.49 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2jgg h ASP 131 Cb 1.30 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2jgg h ASP 131 CO 0.52 0.83 0.00 1.33 -1.72 0.00 0.00 179.24 180.20 2jgg n VAL 132 N -4.36 1.21 -1.27 -1.35 0.24 -1.26 -1.82 118.33 109.72 2jgg n VAL 132 Ca 0.10 0.30 -0.05 0.00 -2.04 0.00 0.00 64.34 62.65 2jgg n VAL 132 Cb 0.06 -1.15 0.22 0.00 -1.47 0.00 0.00 33.84 31.50 2jgg n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgg n TYR 133 N -1.44 1.59 -2.47 6.34 4.01 -0.91 -4.47 117.16 119.81 2jgg n TYR 133 Ca 0.03 -1.45 -0.43 0.00 -0.16 0.00 0.00 57.90 55.89 2jgg n TYR 133 Cb 0.10 -0.56 -0.02 0.00 -0.31 0.00 0.00 39.34 38.54 2jgg n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jgg s ASP 134 N -2.00 6.98 0.00 7.72 -1.08 -0.76 -4.91 116.67 122.62 2jgg s ASP 134 Ca 0.48 1.63 0.22 0.00 -0.52 0.00 0.00 52.55 54.36 2jgg s ASP 134 Cb 0.41 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 40.23 2jgg s ASP 134 CO 0.05 -0.73 1.63 0.61 0.52 0.00 0.00 175.17 177.25 2jgg n GLY 135 N 3.54 -0.01 0.13 2.66 0.00 -1.26 -4.31 105.19 105.94 2jgg n GLY 135 Ca 0.13 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 2jgg n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jgg h ARG 136 N 1.80 0.34 0.15 1.61 0.11 -1.91 -2.18 114.38 114.31 2jgg h ARG 136 Ca 0.00 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2jgg h ARG 136 Cb 0.39 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.41 2jgg h ARG 136 CO 0.00 0.32 -0.07 0.74 0.10 0.00 0.00 179.97 181.06 2jgg h PHE 137 N 0.28 -0.18 -0.85 4.08 0.04 -1.79 0.67 116.94 119.19 2jgg h PHE 137 Ca 0.09 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.88 2jgg h PHE 137 Cb 0.08 0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.25 2jgg h PHE 137 CO -0.03 -0.05 0.56 -0.07 -0.60 0.00 0.00 178.31 178.12 2jgg h LEU 138 N -0.27 0.92 -0.13 1.54 3.38 -1.68 0.43 115.31 119.49 2jgg h LEU 138 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2jgg h LEU 138 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jgg h LEU 138 CO 0.03 0.64 0.04 0.00 0.09 0.00 0.00 178.44 179.25 2jgg h ALA 139 N 1.50 0.17 0.12 1.53 0.00 -0.98 -2.39 119.26 119.20 2jgg h ALA 139 Ca 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2jgg h ALA 139 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jgg h ALA 139 CO -0.09 -0.21 -0.06 0.37 0.00 0.00 0.00 179.25 179.26 2jgg h GLN 140 N 0.03 -0.15 0.00 0.00 -0.00 -0.18 -1.78 115.11 113.03 2jgg h GLN 140 Ca 0.04 0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.62 2jgg h GLN 140 Cb 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 2jgg h GLN 140 CO -0.00 0.34 -0.40 0.28 0.00 0.00 0.00 178.83 179.04 2jgg h VAL 141 N -0.80 0.89 0.00 2.39 2.07 -0.30 -3.33 116.25 117.17 2jgg h VAL 141 Ca -0.02 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.86 2jgg h VAL 141 Cb 0.56 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2jgg h VAL 141 CO 0.03 0.39 0.00 -0.62 0.02 0.00 0.00 177.57 177.39 2jgg n GLU 142 N -3.48 3.97 -1.08 1.57 -0.58 -0.92 -5.00 120.64 115.12 2jgg n GLU 142 Ca 0.00 -0.15 -0.03 0.00 -0.42 0.00 0.00 57.16 56.56 2jgg n GLU 142 Cb 0.55 -0.63 -0.01 0.00 -0.57 0.00 0.00 31.44 30.78 2jgg n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jgg n GLY 143 N 0.61 0.60 3.73 0.62 0.00 -0.67 -5.00 105.19 105.07 2jgg n GLY 143 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2jgg n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgg s ALA 144 N -2.05 3.30 -0.34 4.61 0.00 -1.07 -4.73 121.76 121.46 2jgg s ALA 144 Ca 0.00 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 2jgg s ALA 144 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.83 2jgg s ALA 144 CO 0.00 -0.10 1.07 0.08 0.00 0.00 0.00 175.76 176.82 2jgg s VAL 145 N -0.11 4.47 -0.18 0.00 1.01 -1.18 -3.88 120.40 120.54 2jgg s VAL 145 Ca 0.48 1.63 -0.01 0.00 0.00 0.00 0.00 61.98 64.08 2jgg s VAL 145 Cb -0.26 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.69 2jgg s VAL 145 CO 0.32 -0.56 -0.13 -0.22 0.00 0.00 0.00 175.10 174.51 2jgg s LEU 146 N 3.75 2.54 -0.04 3.92 0.20 -0.11 -0.66 118.68 128.28 2jgg s LEU 146 Ca 0.45 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.81 2jgg s LEU 146 Cb -0.11 -1.60 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 2jgg s LEU 146 CO 0.18 0.03 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.51 2jgg s VAL 147 N 1.12 3.67 -0.06 1.68 1.01 0.20 -1.17 120.40 126.85 2jgg s VAL 147 Ca 0.01 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 2jgg s VAL 147 Cb -0.14 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2jgg s VAL 147 CO -0.04 0.51 0.18 -0.94 0.00 0.00 0.00 175.10 174.81 2jgg s SER 148 N -1.07 -0.16 0.21 3.32 1.04 -0.03 0.14 113.70 117.16 2jgg s SER 148 Ca 0.14 0.28 0.11 0.00 0.48 0.00 0.00 55.95 56.97 2jgg s SER 148 Cb -0.11 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2jgg s SER 148 CO 0.04 -0.11 -0.21 0.00 0.98 0.00 0.00 173.24 173.94 2jgg s MET 149 N -0.12 1.51 0.25 4.02 0.23 -1.25 0.18 119.30 124.12 2jgg s MET 149 Ca -0.02 -1.57 -0.17 0.00 -1.03 0.00 0.00 55.69 52.89 2jgg s MET 149 Cb -0.02 -1.70 -0.08 0.00 -1.53 0.00 0.00 34.83 31.50 2jgg s MET 149 CO 0.00 0.35 0.71 -0.80 -2.03 0.00 0.00 175.02 173.25 2jgg s ASN 150 N -2.93 6.92 0.02 -1.18 0.01 0.51 -4.50 114.94 113.79 2jgg s ASN 150 Ca 0.22 1.32 0.01 0.00 -0.71 0.00 0.00 52.86 53.70 2jgg s ASN 150 Cb -0.06 -2.38 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 2jgg s ASN 150 CO 0.10 -0.05 -0.04 -0.72 -1.51 0.00 0.00 177.10 174.88 2jgg s TYR 151 N -1.70 0.34 0.16 2.20 1.13 -1.26 -4.46 117.35 113.76 2jgg s TYR 151 Ca 0.47 -0.45 -0.32 0.00 -1.41 0.00 0.00 57.07 55.36 2jgg s TYR 151 Cb -0.14 -0.23 -0.10 0.00 -1.10 0.00 0.00 41.96 40.39 2jgg s TYR 151 CO 0.20 -0.14 1.63 1.03 -2.51 0.00 0.00 175.55 175.75 2jgg s ARG 152 N -1.29 4.19 0.57 -3.49 0.52 -1.26 -4.83 118.95 113.36 2jgg s ARG 152 Ca -0.12 2.43 0.07 0.00 -0.52 0.00 0.00 55.73 57.59 2jgg s ARG 152 Cb -0.09 -3.21 0.07 0.00 0.52 0.00 0.00 34.95 32.24 2jgg s ARG 152 CO -0.01 -0.67 0.58 0.14 0.02 0.00 0.00 175.30 175.36 2jgg s VAL 153 N 1.41 1.72 0.00 3.52 -7.23 -1.26 -3.91 120.40 114.65 2jgg s VAL 153 Ca 0.72 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 2jgg s VAL 153 Cb -0.45 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.47 2jgg s VAL 153 CO 0.32 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 2jgg n GLY 154 N -2.00 2.03 0.29 2.32 0.00 0.56 -1.63 105.19 106.76 2jgg n GLY 154 Ca 0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 2jgg n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jgg h THR 155 N 0.00 1.19 0.00 2.61 1.35 -1.89 0.93 112.91 117.10 2jgg h THR 155 Ca 0.00 -0.68 -0.06 0.00 -0.55 0.00 0.00 66.41 65.13 2jgg h THR 155 Cb 0.00 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 2jgg h THR 155 CO 0.00 0.25 -0.27 -0.26 -0.25 0.00 0.00 175.52 174.99 2jgg h PHE 156 N 0.63 0.00 0.00 4.73 0.04 -1.82 -1.67 116.94 118.86 2jgg h PHE 156 Ca 0.14 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.65 2jgg h PHE 156 Cb 0.23 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.33 2jgg h PHE 156 CO 0.01 0.27 -2.16 0.41 -0.60 0.00 0.00 178.31 176.24 2jgg n GLY 157 N -0.65 -0.88 0.00 -1.45 0.00 -0.65 -4.11 105.19 97.45 2jgg n GLY 157 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2jgg n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgg n PHE 158 N -2.57 0.00 -2.01 1.61 3.72 0.29 -0.99 117.46 117.51 2jgg n PHE 158 Ca -0.24 -0.10 -0.43 0.00 -0.05 0.00 0.00 57.45 56.63 2jgg n PHE 158 Cb 0.97 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.48 2jgg n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2jgg s LEU 159 N -0.20 3.71 -0.04 4.37 0.20 -0.63 -4.36 118.68 121.74 2jgg s LEU 159 Ca 0.00 1.55 0.06 0.00 0.69 0.00 0.00 54.13 56.43 2jgg s LEU 159 Cb 0.00 -3.53 -0.02 0.00 -0.43 0.00 0.00 46.19 42.21 2jgg s LEU 159 CO 0.00 -1.49 -0.22 0.00 -0.29 0.00 0.00 176.35 174.35 2jgg s ALA 160 N 6.11 2.35 -0.71 5.97 0.00 -1.26 -4.35 121.76 129.86 2jgg s ALA 160 Ca 0.78 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 2jgg s ALA 160 Cb -0.25 -0.72 0.18 0.00 0.00 0.00 0.00 23.12 22.33 2jgg s ALA 160 CO 0.32 0.52 0.57 -0.51 0.00 0.00 0.00 175.76 176.66 2jgg s LEU 161 N -0.60 5.61 0.15 0.00 1.43 0.38 -3.79 118.68 121.87 2jgg s LEU 161 Ca 0.09 -2.96 -0.33 0.00 -1.03 0.00 0.00 54.13 49.89 2jgg s LEU 161 Cb -0.11 -1.94 -0.16 0.00 0.03 0.00 0.00 46.19 44.01 2jgg s LEU 161 CO 0.00 -0.38 1.09 -2.65 0.23 0.00 0.00 176.35 174.64 2jgg n PRO 162 N 3.40 0.89 -0.11 1.29 -0.02 -1.26 -1.24 135.00 137.95 2jgg n PRO 162 Ca 0.11 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2jgg n PRO 162 Cb 0.40 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2jgg n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgg n GLY 163 N 1.95 2.60 3.80 -1.23 0.00 -1.26 -5.02 105.19 106.04 2jgg n GLY 163 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2jgg n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jgg s SER 164 N -3.78 4.59 0.07 1.61 1.04 -0.37 -4.99 113.70 111.87 2jgg s SER 164 Ca 0.00 1.38 0.17 0.00 0.48 0.00 0.00 55.95 57.98 2jgg s SER 164 Cb 0.00 -2.13 -0.12 0.00 0.10 0.00 0.00 66.02 63.86 2jgg s SER 164 CO 0.00 -1.92 0.85 -0.09 0.98 0.00 0.00 173.24 173.06 2jgg h ARG 165 N -1.05 0.00 0.00 4.02 2.43 -1.95 -3.37 114.38 114.46 2jgg h ARG 165 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2jgg h ARG 165 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2jgg h ARG 165 CO 0.58 0.27 -1.36 -0.85 -1.51 0.00 0.00 179.97 177.11 2jgg n GLU 166 N -2.88 0.29 -3.03 0.20 0.00 -1.26 -4.50 120.64 109.45 2jgg n GLU 166 Ca -0.09 -0.07 -0.18 0.00 0.00 0.00 0.00 57.16 56.82 2jgg n GLU 166 Cb 0.82 -1.52 -0.03 0.00 0.00 0.00 0.00 31.44 30.71 2jgg n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgg n ALA 167 N -1.83 0.99 1.05 -1.84 0.00 -1.26 -4.41 120.51 113.21 2jgg n ALA 167 Ca 0.01 -2.64 0.13 0.00 0.00 0.00 0.00 53.44 50.93 2jgg n ALA 167 Cb 0.44 -1.01 0.61 0.00 0.00 0.00 0.00 19.45 19.48 2jgg n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jgg n PRO 168 N 1.52 0.15 0.00 0.00 -0.04 -1.26 -0.47 135.00 134.91 2jgg n PRO 168 Ca 0.17 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2jgg n PRO 168 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2jgg n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jgg n GLY 169 N 1.13 -0.04 2.43 0.55 0.00 -1.26 -4.55 105.19 103.44 2jgg n GLY 169 Ca 0.09 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 2jgg n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jgg n ASN 170 N -0.96 -4.72 0.08 1.61 3.02 -1.26 -4.89 115.26 108.15 2jgg n ASN 170 Ca 0.00 0.33 -0.03 0.00 -0.03 0.00 0.00 54.58 54.85 2jgg n ASN 170 Cb 0.00 -3.39 0.19 0.00 -0.61 0.00 0.00 39.78 35.96 2jgg n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jgg h VAL 171 N 0.00 1.32 -0.79 2.41 -1.51 -1.63 -0.15 116.25 115.91 2jgg h VAL 171 Ca -0.27 -1.62 0.15 0.00 -1.23 0.00 0.00 66.70 63.73 2jgg h VAL 171 Cb 0.91 1.73 -0.10 0.00 -2.13 0.00 0.00 31.29 31.70 2jgg h VAL 171 CO 0.40 0.49 0.33 1.23 -1.23 0.00 0.00 177.57 178.79 2jgg h GLY 172 N 1.25 1.22 1.62 5.19 0.00 -1.26 0.54 103.07 111.64 2jgg h GLY 172 Ca 0.02 -0.17 -0.17 0.00 0.00 0.00 0.00 47.33 47.01 2jgg h GLY 172 CO 0.07 -0.10 -0.65 1.41 0.00 0.00 0.00 176.54 177.27 2jgg h LEU 173 N 0.47 0.44 -1.31 3.11 3.38 -1.39 -2.56 115.31 117.45 2jgg h LEU 173 Ca 0.44 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2jgg h LEU 173 Cb 0.67 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2jgg h LEU 173 CO -0.41 0.97 -0.12 -0.07 0.09 0.00 0.00 178.44 178.91 2jgg h LEU 174 N 0.28 0.30 -0.18 1.67 3.38 0.60 -0.22 115.31 121.15 2jgg h LEU 174 Ca -0.01 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2jgg h LEU 174 Cb 1.20 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2jgg h LEU 174 CO 0.11 0.45 0.04 0.44 0.09 0.00 0.00 178.44 179.57 2jgg h ASP 175 N 0.30 0.01 -0.50 -0.43 3.32 0.31 -1.30 116.42 118.13 2jgg h ASP 175 Ca 0.06 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2jgg h ASP 175 Cb 0.40 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2jgg h ASP 175 CO 0.02 0.03 0.32 1.56 -1.72 0.00 0.00 179.24 179.45 2jgg h GLN 176 N 0.11 0.67 -0.83 3.56 4.20 -0.94 -2.07 115.11 119.81 2jgg h GLN 176 Ca 0.08 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.81 2jgg h GLN 176 Cb 0.07 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 27.64 2jgg h GLN 176 CO -0.10 0.47 0.50 -0.09 -0.67 0.00 0.00 178.83 178.93 2jgg h ARG 177 N 0.68 0.86 -0.69 1.46 2.43 -0.84 -0.55 114.38 117.72 2jgg h ARG 177 Ca 0.18 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2jgg h ARG 177 Cb -0.04 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 2jgg h ARG 177 CO -0.04 0.57 0.29 1.25 -1.51 0.00 0.00 179.97 180.53 2jgg h LEU 178 N 0.88 0.94 -0.34 3.80 5.85 -0.59 0.17 115.31 126.03 2jgg h LEU 178 Ca 0.38 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.95 2jgg h LEU 178 Cb 0.25 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2jgg h LEU 178 CO -0.20 0.85 0.18 0.00 -0.34 0.00 0.00 178.44 178.93 2jgg h ALA 179 N 1.13 0.41 -0.71 1.25 0.00 -0.93 0.33 119.26 120.74 2jgg h ALA 179 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2jgg h ALA 179 Cb 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2jgg h ALA 179 CO -0.02 -0.18 0.38 -0.07 0.00 0.00 0.00 179.25 179.36 2jgg h LEU 180 N 0.37 0.54 -0.15 0.00 4.07 -0.16 0.12 115.31 120.10 2jgg h LEU 180 Ca 0.14 0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.16 2jgg h LEU 180 Cb 0.03 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 2jgg h LEU 180 CO -0.08 0.33 0.02 1.56 -1.08 0.00 0.00 178.44 179.19 2jgg h GLN 181 N 0.68 0.08 -0.70 1.13 4.20 0.18 -1.45 115.11 119.23 2jgg h GLN 181 Ca 0.33 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.15 2jgg h GLN 181 Cb 0.28 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.96 2jgg h GLN 181 CO -0.22 0.05 0.31 2.35 -0.67 0.00 0.00 178.83 180.65 2jgg h TRP 182 N 0.08 0.55 -0.05 2.96 7.01 0.57 0.17 115.95 127.24 2jgg h TRP 182 Ca 0.07 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.10 2jgg h TRP 182 Cb 0.06 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 2jgg h TRP 182 CO -0.13 0.15 0.03 0.28 -2.79 0.00 0.00 178.44 175.98 2jgg h VAL 183 N 0.51 1.03 -0.63 2.65 2.07 -0.44 0.05 116.25 121.49 2jgg h VAL 183 Ca 0.36 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.93 2jgg h VAL 183 Cb 0.45 1.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.12 2jgg h VAL 183 CO -0.32 0.03 -0.01 1.56 0.02 0.00 0.00 177.57 178.85 2jgg h GLN 184 N 0.05 0.10 0.00 1.57 1.08 -0.14 -0.81 115.11 116.96 2jgg h GLN 184 Ca 0.02 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 2jgg h GLN 184 Cb 0.02 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2jgg h GLN 184 CO -0.00 0.07 -0.49 0.93 -0.95 0.00 0.00 178.83 178.38 2jgg h GLU 185 N 0.11 0.00 0.00 1.46 5.08 -0.66 -3.40 114.58 117.17 2jgg h GLU 185 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2jgg h GLU 185 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2jgg h GLU 185 CO -0.55 0.49 -0.73 0.09 -1.00 0.00 0.00 179.01 177.31 2jgg n ASN 186 N -3.31 3.63 0.09 1.42 3.02 -0.03 -4.83 115.26 115.25 2jgg n ASN 186 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.58 2jgg n ASN 186 Cb 0.68 0.61 0.38 0.00 -0.61 0.00 0.00 39.78 40.84 2jgg n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jgg h ILE 187 N 0.00 1.17 -0.83 2.41 6.09 -1.31 -1.23 117.51 123.81 2jgg h ILE 187 Ca 0.00 -0.71 0.21 0.00 -1.37 0.00 0.00 64.86 62.99 2jgg h ILE 187 Cb 0.23 1.09 -0.14 0.00 0.47 0.00 0.00 36.82 38.47 2jgg h ILE 187 CO 0.00 0.23 0.10 0.00 -3.07 0.00 0.00 178.15 175.41 2jgg h ALA 188 N 1.64 1.02 0.00 0.18 0.00 -1.77 0.37 119.26 120.69 2jgg h ALA 188 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2jgg h ALA 188 Cb 0.32 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jgg h ALA 188 CO 0.01 -0.45 0.18 0.00 0.00 0.00 0.00 179.25 178.99 2jgg h ALA 189 N 1.77 1.15 -0.02 0.00 0.00 -1.51 0.18 119.26 120.81 2jgg h ALA 189 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2jgg h ALA 189 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jgg h ALA 189 CO -0.69 -0.15 -0.02 1.19 0.00 0.00 0.00 179.25 179.59 2jgg n PHE 190 N -2.51 0.00 -0.57 0.00 3.01 0.11 -4.85 117.46 112.66 2jgg n PHE 190 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2jgg n PHE 190 Cb 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 2jgg n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgg n GLY 191 N 1.05 0.72 3.79 1.37 0.00 0.63 -4.57 105.19 108.18 2jgg n GLY 191 Ca 0.11 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2jgg n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jgg s GLY 192 N -2.00 2.57 -0.53 -0.02 0.00 -0.25 -1.40 107.32 105.69 2jgg s GLY 192 Ca 0.00 0.67 -0.20 0.00 0.00 0.00 0.00 44.72 45.19 2jgg s GLY 192 CO 0.00 1.01 0.70 -0.35 0.00 0.00 0.00 173.10 174.46 2jgg s ASP 193 N -1.86 6.23 0.00 1.64 -1.08 0.14 -3.11 116.67 118.63 2jgg s ASP 193 Ca 0.67 -0.90 0.11 0.00 -0.52 0.00 0.00 52.55 51.90 2jgg s ASP 193 Cb -0.19 -2.32 0.58 0.00 -1.46 0.00 0.00 42.92 39.53 2jgg s ASP 193 CO 0.23 -1.00 1.15 -0.81 0.52 0.00 0.00 175.17 175.26 2jgg n PRO 194 N 6.46 0.24 -0.11 4.34 -0.04 -1.26 -1.55 135.00 143.08 2jgg n PRO 194 Ca -0.06 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2jgg n PRO 194 Cb 0.45 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.58 2jgg n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jgg n MET 195 N -1.15 2.36 -3.24 0.54 2.81 -1.26 -4.44 117.12 112.74 2jgg n MET 195 Ca 0.06 -2.11 -0.25 0.00 -1.81 0.00 0.00 57.70 53.60 2jgg n MET 195 Cb 0.06 -1.48 -0.08 0.00 -0.71 0.00 0.00 33.22 31.02 2jgg n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jgg n SER 196 N 1.39 -0.05 -4.40 7.83 2.88 -0.59 -4.95 113.62 115.72 2jgg n SER 196 Ca 0.17 -2.61 -0.37 0.00 -1.33 0.00 0.00 58.87 54.73 2jgg n SER 196 Cb 0.59 -0.59 -0.13 0.00 -0.75 0.00 0.00 64.21 63.34 2jgg n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jgg s VAL 197 N -0.82 4.17 -0.19 2.46 1.01 -1.26 -0.75 120.40 125.03 2jgg s VAL 197 Ca 0.34 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2jgg s VAL 197 Cb 0.13 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2jgg s VAL 197 CO -0.14 0.22 0.05 -0.89 0.00 0.00 0.00 175.10 174.34 2jgg s THR 198 N 1.57 4.63 0.05 3.92 2.01 -0.28 -1.06 115.64 126.46 2jgg s THR 198 Ca 0.05 -0.09 -0.23 0.00 0.31 0.00 0.00 61.69 61.73 2jgg s THR 198 Cb -0.16 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.20 2jgg s THR 198 CO 0.03 0.45 0.70 -0.76 -0.69 0.00 0.00 174.62 174.35 2jgg s LEU 199 N 0.54 4.46 0.04 4.42 1.43 -0.15 -0.79 118.68 128.64 2jgg s LEU 199 Ca 0.02 1.37 0.01 0.00 -1.03 0.00 0.00 54.13 54.50 2jgg s LEU 199 Cb -0.13 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 2jgg s LEU 199 CO 0.01 0.09 -0.06 0.72 0.23 0.00 0.00 176.35 177.34 2jgg s PHE 200 N -0.31 0.55 -0.05 0.29 -0.71 0.25 -0.21 117.98 117.78 2jgg s PHE 200 Ca 0.35 -0.60 -0.29 0.00 -1.04 0.00 0.00 56.93 55.35 2jgg s PHE 200 Cb -0.20 -0.34 0.11 0.00 -1.21 0.00 0.00 43.02 41.37 2jgg s PHE 200 CO 0.21 -0.15 0.92 0.20 -1.34 0.00 0.00 175.22 175.06 2jgg s GLY 201 N -1.80 -0.41 -0.66 1.99 0.00 -1.14 -0.84 107.32 104.47 2jgg s GLY 201 Ca -0.08 1.32 0.06 0.00 0.00 0.00 0.00 44.72 46.01 2jgg s GLY 201 CO -0.01 0.55 0.73 -2.21 0.00 0.00 0.00 173.10 172.15 2jgg n GLU 202 N 0.07 2.47 0.00 2.90 0.00 -1.22 -1.63 120.64 123.23 2jgg n GLU 202 Ca -0.09 -4.65 0.00 0.00 0.00 0.00 0.00 57.16 52.41 2jgg n GLU 202 Cb 0.60 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.78 2jgg n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgg n ALA 204 N 1.00 0.00 -0.15 4.31 0.00 -1.26 -2.70 120.51 121.71 2jgg n ALA 204 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.65 2jgg n ALA 204 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 2jgg n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jgg h GLY 205 N 0.00 0.64 0.99 0.00 0.00 -1.58 -0.39 103.07 102.72 2jgg h GLY 205 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2jgg h GLY 205 CO 0.00 0.23 0.15 0.00 0.00 0.00 0.00 176.54 176.92 2jgg h ALA 206 N 1.17 0.30 -0.59 3.60 0.00 -1.52 -1.11 119.26 121.11 2jgg h ALA 206 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2jgg h ALA 206 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2jgg h ALA 206 CO -0.04 -0.21 0.30 0.00 0.00 0.00 0.00 179.25 179.29 2jgg h ALA 207 N 1.07 1.43 0.18 0.00 0.00 -1.70 0.15 119.26 120.40 2jgg h ALA 207 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jgg h ALA 207 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2jgg h ALA 207 CO -0.02 0.46 -0.09 0.77 0.00 0.00 0.00 179.25 180.38 2jgg h SER 208 N 0.82 -0.21 -0.82 0.00 0.02 -0.74 0.86 113.55 113.49 2jgg h SER 208 Ca 0.21 -0.07 0.15 0.00 -0.84 0.00 0.00 61.79 61.23 2jgg h SER 208 Cb 0.06 0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.55 2jgg h SER 208 CO -0.03 -0.06 0.39 0.58 -1.14 0.00 0.00 176.83 176.57 2jgg h VAL 209 N -0.35 0.69 -0.67 2.27 2.07 -0.25 0.10 116.25 120.11 2jgg h VAL 209 Ca -0.02 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2jgg h VAL 209 Cb 0.27 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2jgg h VAL 209 CO 0.04 0.10 0.22 1.23 0.02 0.00 0.00 177.57 179.18 2jgg h GLY 210 N 0.55 1.10 1.84 2.17 0.00 -0.18 -1.75 103.07 106.80 2jgg h GLY 210 Ca 0.45 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 2jgg h GLY 210 CO -0.39 0.59 -0.45 -0.33 0.00 0.00 0.00 176.54 175.96 2jgg h MET 211 N 0.99 0.18 -0.27 4.80 2.86 0.12 -2.08 114.93 121.53 2jgg h MET 211 Ca 0.22 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.64 2jgg h MET 211 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2jgg h MET 211 CO -0.01 0.60 -0.37 0.45 1.06 0.00 0.00 176.91 178.63 2jgg h HIS 212 N 0.15 0.72 -0.83 -0.22 3.86 -0.24 -1.23 115.15 117.36 2jgg h HIS 212 Ca 0.01 -0.20 0.04 0.00 -1.16 0.00 0.00 60.37 59.06 2jgg h HIS 212 Cb 0.86 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.12 2jgg h HIS 212 CO 0.01 0.90 0.55 0.82 0.86 0.00 0.00 177.93 181.06 2jgg h ILE 213 N 0.51 1.13 -0.57 2.45 2.04 -1.05 -2.65 117.51 119.37 2jgg h ILE 213 Ca 0.05 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2jgg h ILE 213 Cb 0.88 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2jgg h ILE 213 CO 0.08 0.19 0.00 0.18 0.00 0.00 0.00 178.15 178.59 2jgg n LEU 214 N -4.45 3.20 -3.99 1.44 4.77 -0.81 -4.80 117.00 112.37 2jgg n LEU 214 Ca 0.11 -1.60 -0.30 0.00 -0.03 0.00 0.00 56.01 54.19 2jgg n LEU 214 Cb 0.12 -0.40 -0.16 0.00 -2.33 0.00 0.00 43.42 40.64 2jgg n LEU 214 CO 0.35 0.76 -0.47 -0.55 -1.33 0.00 0.00 177.39 176.15 2jgg s SER 215 N -0.97 2.88 0.14 -1.43 0.15 -0.52 -4.78 113.70 109.16 2jgg s SER 215 Ca 0.39 -0.62 -0.17 0.00 0.70 0.00 0.00 55.95 56.25 2jgg s SER 215 Cb 0.21 -1.13 0.02 0.00 -1.71 0.00 0.00 66.02 63.41 2jgg s SER 215 CO 0.25 -0.11 1.75 0.25 1.20 0.00 0.00 173.24 176.59 2jgg h LEU 216 N 8.05 0.11 -2.00 3.45 5.85 -1.85 -0.19 115.31 128.73 2jgg h LEU 216 Ca -0.32 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.57 2jgg h LEU 216 Cb 1.12 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2jgg h LEU 216 CO 0.49 0.10 0.35 -0.65 -0.34 0.00 0.00 178.44 178.38 2jgg h PRO 217 N 0.23 0.00 0.00 5.25 0.11 -1.95 -1.86 132.00 133.79 2jgg h PRO 217 Ca 0.14 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.09 2jgg h PRO 217 Cb 0.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2jgg h PRO 217 CO -0.14 0.00 -0.73 0.77 -0.21 0.00 0.00 178.00 177.68 2jgg h SER 218 N 0.00 0.00 -1.00 -2.05 0.02 -1.29 -3.36 113.55 105.87 2jgg h SER 218 Ca 0.23 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 61.31 2jgg h SER 218 Cb 0.92 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.37 2jgg h SER 218 CO -0.00 0.73 0.63 0.03 -1.14 0.00 0.00 176.83 177.08 2jgg h ARG 219 N 0.00 0.90 0.00 3.45 2.47 -0.99 -0.65 114.38 119.55 2jgg h ARG 219 Ca -0.01 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2jgg h ARG 219 Cb 1.32 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2jgg h ARG 219 CO 0.10 0.59 0.00 -1.13 0.56 0.00 0.00 179.97 180.09 2jgg n SER 220 N -4.65 0.00 -0.22 7.04 3.41 -1.26 -3.57 113.62 114.37 2jgg n SER 220 Ca 0.20 -1.50 0.05 0.00 -0.26 0.00 0.00 58.87 57.36 2jgg n SER 220 Cb 0.41 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2jgg n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgg n LEU 221 N -0.54 1.19 -3.98 1.04 4.77 -0.25 -5.02 117.00 114.21 2jgg n LEU 221 Ca 0.01 -0.76 -0.11 0.00 -0.03 0.00 0.00 56.01 55.12 2jgg n LEU 221 Cb 0.01 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2jgg n LEU 221 CO 0.01 0.24 0.27 0.72 -1.33 0.00 0.00 177.39 177.30 2jgg s PHE 222 N -1.36 0.54 0.00 -1.77 -0.71 -1.23 -4.89 117.98 108.56 2jgg s PHE 222 Ca 0.08 -0.94 0.00 0.00 -1.04 0.00 0.00 56.93 55.03 2jgg s PHE 222 Cb 0.08 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 42.17 2jgg s PHE 222 CO 0.25 -1.21 0.00 0.72 -1.34 0.00 0.00 175.22 173.64 2jgg n HIS 223 N -0.50 0.00 -3.79 3.49 8.25 -0.23 -4.95 115.22 117.49 2jgg n HIS 223 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 2jgg n HIS 223 Cb 0.61 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.65 2jgg n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jgg s ARG 224 N -1.55 0.82 0.00 -0.41 0.52 -1.22 -4.26 118.95 112.85 2jgg s ARG 224 Ca 0.00 -0.67 -0.05 0.00 -0.52 0.00 0.00 55.73 54.49 2jgg s ARG 224 Cb 0.00 0.35 -0.00 0.00 0.52 0.00 0.00 34.95 35.81 2jgg s ARG 224 CO 0.00 -0.26 0.09 0.00 0.02 0.00 0.00 175.30 175.14 2jgg s ALA 225 N -3.02 -0.20 -0.11 2.13 0.00 -1.11 -0.97 121.76 118.48 2jgg s ALA 225 Ca -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2jgg s ALA 225 Cb 0.01 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.25 2jgg s ALA 225 CO -0.06 -0.18 -0.12 0.08 0.00 0.00 0.00 175.76 175.47 2jgg s VAL 226 N -1.29 1.31 -0.37 0.00 1.01 0.71 -1.74 120.40 120.02 2jgg s VAL 226 Ca -0.14 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 2jgg s VAL 226 Cb -0.08 -1.24 0.09 0.00 0.00 0.00 0.00 36.38 35.16 2jgg s VAL 226 CO 0.01 0.41 0.13 -0.76 0.00 0.00 0.00 175.10 174.89 2jgg s LEU 227 N 1.26 4.84 -0.34 3.92 1.02 -0.02 -2.86 118.68 126.48 2jgg s LEU 227 Ca -0.02 -1.83 -0.18 0.00 0.02 0.00 0.00 54.13 52.12 2jgg s LEU 227 Cb -0.14 -1.78 -0.01 0.00 0.02 0.00 0.00 46.19 44.29 2jgg s LEU 227 CO -0.05 -0.45 0.50 -1.10 0.02 0.00 0.00 176.35 175.27 2jgg s GLN 228 N 1.15 3.65 -1.41 1.70 -0.21 -0.65 -2.45 119.66 121.44 2jgg s GLN 228 Ca 0.05 -0.15 -0.09 0.00 0.02 0.00 0.00 55.36 55.19 2jgg s GLN 228 Cb -0.22 -3.80 0.04 0.00 1.00 0.00 0.00 33.01 30.04 2jgg s GLN 228 CO -0.04 -0.61 1.06 0.43 -2.12 0.00 0.00 175.29 174.01 2jgg n SER 229 N 5.70 -5.00 0.00 5.90 7.64 0.01 -4.09 113.62 123.78 2jgg n SER 229 Ca -0.05 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2jgg n SER 229 Cb 0.49 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 2jgg n SER 229 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jgg n GLY 230 N -1.78 0.62 3.29 0.23 0.00 -1.26 -4.77 105.19 101.51 2jgg n GLY 230 Ca -0.03 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 2jgg n GLY 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jgg s THR 231 N -2.00 0.07 0.14 2.61 -4.23 -1.26 -4.38 115.64 106.60 2jgg s THR 231 Ca 0.00 -0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 59.83 2jgg s THR 231 Cb 0.00 -1.01 -0.13 0.00 1.34 0.00 0.00 72.50 72.70 2jgg s THR 231 CO 0.00 -0.34 1.37 1.55 -0.54 0.00 0.00 174.62 176.66 2jgg h PRO 232 N 2.96 0.58 -7.19 3.99 0.13 -1.83 -3.39 132.00 127.24 2jgg h PRO 232 Ca -0.32 -0.48 -0.45 0.00 -0.87 0.00 0.00 66.00 63.88 2jgg h PRO 232 Cb 1.21 0.10 0.20 0.00 0.13 0.00 0.00 31.00 32.64 2jgg h PRO 232 CO 0.46 1.10 0.06 0.54 -0.23 0.00 0.00 178.00 179.93 2jgg s ASN 233 N -7.04 1.42 0.00 1.44 4.22 -1.26 -4.51 114.94 109.21 2jgg s ASN 233 Ca -0.08 1.51 0.00 0.00 -2.14 0.00 0.00 52.86 52.16 2jgg s ASN 233 Cb 0.10 -2.25 0.00 0.00 1.28 0.00 0.00 41.25 40.38 2jgg s ASN 233 CO 0.87 -3.93 0.00 0.61 -2.04 0.00 0.00 177.10 172.61 2jgg n GLY 234 N 0.40 1.28 0.22 0.45 0.00 -1.26 -4.64 105.19 101.64 2jgg n GLY 234 Ca 0.04 -2.10 0.16 0.00 0.00 0.00 0.00 46.02 44.12 2jgg n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jgg h PRO 235 N 0.00 0.00 0.00 1.61 0.13 -1.87 -3.33 132.00 128.54 2jgg h PRO 235 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2jgg h PRO 235 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jgg h PRO 235 CO 0.00 0.00 -1.05 -2.67 -0.23 0.00 0.00 178.00 174.05 2jgg n TRP 236 N -2.75 0.00 0.18 1.56 4.27 -1.26 -4.79 117.44 114.65 2jgg n TRP 236 Ca 0.01 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.66 2jgg n TRP 236 Cb 0.25 -0.03 0.31 0.00 -1.36 0.00 0.00 31.31 30.48 2jgg n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jgg h ALA 237 N 0.07 1.04 -2.29 -1.67 0.00 -1.82 -3.44 119.26 111.15 2jgg h ALA 237 Ca -0.01 -0.39 -0.31 0.00 0.00 0.00 0.00 54.91 54.21 2jgg h ALA 237 Cb 0.36 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.94 2jgg h ALA 237 CO 0.00 0.54 -0.65 0.95 0.00 0.00 0.00 179.25 180.09 2jgg s THR 238 N -3.69 0.66 0.15 0.00 -4.23 -1.26 -3.80 115.64 103.47 2jgg s THR 238 Ca -0.01 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2jgg s THR 238 Cb 0.12 -2.26 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 2jgg s THR 238 CO 0.71 -0.35 -0.07 0.68 -0.54 0.00 0.00 174.62 175.05 2jgg s VAL 239 N -3.67 1.04 0.59 2.29 -7.23 -0.72 -4.99 120.40 107.71 2jgg s VAL 239 Ca 0.28 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.31 2jgg s VAL 239 Cb 0.06 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2jgg s VAL 239 CO 0.07 -0.68 0.99 -0.94 -0.31 0.00 0.00 175.10 174.22 2jgg s SER 240 N -3.17 6.25 0.16 4.85 1.04 -1.26 -1.50 113.70 120.07 2jgg s SER 240 Ca 0.18 1.35 -0.24 0.00 0.48 0.00 0.00 55.95 57.73 2jgg s SER 240 Cb 0.04 -2.44 0.05 0.00 0.10 0.00 0.00 66.02 63.77 2jgg s SER 240 CO 0.01 -0.81 1.59 0.00 0.98 0.00 0.00 173.24 175.01 2jgg h ALA 241 N -0.17 -0.23 -0.73 5.32 0.00 -1.93 0.20 119.26 121.71 2jgg h ALA 241 Ca -0.45 0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.72 2jgg h ALA 241 Cb 1.19 0.76 -0.13 0.00 0.00 0.00 0.00 17.79 19.61 2jgg h ALA 241 CO 0.62 -0.76 -0.11 0.78 0.00 0.00 0.00 179.25 179.79 2jgg h GLY 242 N -0.26 0.64 2.00 0.00 0.00 -1.93 -0.20 103.07 103.32 2jgg h GLY 242 Ca 0.17 0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.57 2jgg h GLY 242 CO -0.57 -0.28 -0.54 -2.09 0.00 0.00 0.00 176.54 173.06 2jgg h GLU 243 N 0.04 0.00 -0.11 4.80 4.57 -1.59 -2.01 114.58 120.28 2jgg h GLU 243 Ca 0.37 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.50 2jgg h GLU 243 Cb 0.61 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2jgg h GLU 243 CO -0.71 0.54 -0.13 0.00 -1.18 0.00 0.00 179.01 177.53 2jgg h ALA 244 N 1.46 0.16 -0.92 2.92 0.00 0.25 -2.34 119.26 120.78 2jgg h ALA 244 Ca -0.01 -0.32 0.13 0.00 0.00 0.00 0.00 54.91 54.72 2jgg h ALA 244 Cb 1.31 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 2jgg h ALA 244 CO 0.07 0.03 0.54 -0.09 0.00 0.00 0.00 179.25 179.81 2jgg h ARG 245 N -0.14 0.79 -0.09 0.00 2.43 -1.03 0.04 114.38 116.38 2jgg h ARG 245 Ca 0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2jgg h ARG 245 Cb 0.67 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2jgg h ARG 245 CO 0.03 0.52 0.01 -0.09 -1.51 0.00 0.00 179.97 178.93 2jgg h ARG 246 N 0.81 0.15 -0.65 0.20 2.43 -1.24 -1.17 114.38 114.91 2jgg h ARG 246 Ca 0.48 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.54 2jgg h ARG 246 Cb 0.58 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2jgg h ARG 246 CO -0.31 0.39 0.14 0.00 -1.51 0.00 0.00 179.97 178.68 2jgg h ARG 247 N -0.10 1.05 0.45 0.20 3.08 -0.99 -0.89 114.38 117.18 2jgg h ARG 247 Ca 0.03 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 2jgg h ARG 247 Cb 0.31 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2jgg h ARG 247 CO 0.00 0.96 -0.22 0.00 -1.07 0.00 0.00 179.97 179.64 2jgg h ALA 248 N 1.05 -0.61 -0.31 0.04 0.00 -0.91 0.29 119.26 118.81 2jgg h ALA 248 Ca 0.20 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2jgg h ALA 248 Cb 0.39 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2jgg h ALA 248 CO 0.01 -0.71 0.25 1.79 0.00 0.00 0.00 179.25 180.59 2jgg h THR 249 N -0.87 0.70 0.19 0.00 1.35 -1.19 0.17 112.91 113.25 2jgg h THR 249 Ca -0.06 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.48 2jgg h THR 249 Cb 0.57 0.82 0.03 0.00 -1.73 0.00 0.00 68.15 67.84 2jgg h THR 249 CO 0.10 0.00 -1.36 0.25 -0.25 0.00 0.00 175.52 174.26 2jgg h LEU 250 N 0.00 0.86 -0.73 3.87 5.85 -0.90 -2.06 115.31 122.21 2jgg h LEU 250 Ca 0.15 -0.85 -0.06 0.00 0.84 0.00 0.00 57.88 57.95 2jgg h LEU 250 Cb 0.65 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2jgg h LEU 250 CO -0.00 1.66 0.22 0.25 -0.34 0.00 0.00 178.44 180.22 2jgg h LEU 251 N 0.21 1.07 -0.70 2.25 5.85 0.04 -1.37 115.31 122.66 2jgg h LEU 251 Ca -0.22 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.32 2jgg h LEU 251 Cb 2.05 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.75 2jgg h LEU 251 CO 0.26 1.00 0.43 0.00 -0.34 0.00 0.00 178.44 179.79 2jgg h ALA 252 N 1.11 0.92 -0.30 1.25 0.00 -0.68 -1.90 119.26 119.66 2jgg h ALA 252 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2jgg h ALA 252 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jgg h ALA 252 CO -0.01 0.19 0.03 -0.09 0.00 0.00 0.00 179.25 179.37 2jgg h ARG 253 N 0.83 0.51 0.00 0.00 2.43 -1.12 0.25 114.38 117.28 2jgg h ARG 253 Ca 0.29 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2jgg h ARG 253 Cb 0.06 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2jgg h ARG 253 CO -0.12 0.63 0.01 -0.07 -1.51 0.00 0.00 179.97 178.91 2jgg h LEU 254 N 0.32 0.00 -3.24 3.80 3.38 -0.48 -0.15 115.31 118.94 2jgg h LEU 254 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2jgg h LEU 254 Cb 0.38 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2jgg h LEU 254 CO 0.01 0.00 -0.07 1.33 0.09 0.00 0.00 178.44 179.80 2jgg n VAL 255 N -2.90 2.33 -2.98 1.22 0.24 -0.92 -5.00 118.33 110.32 2jgg n VAL 255 Ca -0.03 -2.40 -0.13 0.00 -2.04 0.00 0.00 64.34 59.75 2jgg n VAL 255 Cb 0.08 -0.28 0.06 0.00 -1.47 0.00 0.00 33.84 32.23 2jgg n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgg n GLY 256 N -0.96 -0.59 1.80 7.63 0.00 -0.07 -5.05 105.19 107.95 2jgg n GLY 256 Ca 0.25 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 2jgg n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgg n ASN 265 N -2.04 0.00 0.12 0.00 2.85 -1.26 -4.87 115.26 110.06 2jgg n ASN 265 Ca 0.01 0.93 -0.13 0.00 -0.11 0.00 0.00 54.58 55.28 2jgg n ASN 265 Cb 0.33 -1.40 -0.06 0.00 1.24 0.00 0.00 39.78 39.89 2jgg n ASN 265 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2jgg h ASP 266 N 3.56 -0.38 -0.52 1.20 3.32 -2.01 -2.84 116.42 118.76 2jgg h ASP 266 Ca 0.00 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.17 2jgg h ASP 266 Cb 0.00 0.13 -0.10 0.00 0.22 0.00 0.00 39.33 39.58 2jgg h ASP 266 CO 0.00 -0.22 -0.39 0.74 -1.72 0.00 0.00 179.24 177.65 2jgg h THR 267 N -0.32 0.13 -0.75 0.35 2.02 -2.01 -0.99 112.91 111.33 2jgg h THR 267 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 2jgg h THR 267 Cb 0.30 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.78 2jgg h THR 267 CO -0.03 0.00 0.44 -0.33 0.37 0.00 0.00 175.52 175.97 2jgg h GLU 268 N -0.24 0.77 -0.31 6.66 5.08 -1.99 -0.55 114.58 124.00 2jgg h GLU 268 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2jgg h GLU 268 Cb 0.56 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jgg h GLU 268 CO -0.64 0.51 0.20 1.25 -1.00 0.00 0.00 179.01 179.33 2jgg h LEU 269 N 0.79 0.35 -0.03 1.33 6.46 -0.97 -2.59 115.31 120.66 2jgg h LEU 269 Ca 0.34 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 2jgg h LEU 269 Cb 0.21 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2jgg h LEU 269 CO -0.19 0.26 -0.03 0.40 -0.62 0.00 0.00 178.44 178.26 2jgg h ILE 270 N 0.41 1.38 -0.89 4.05 2.04 -0.98 -2.73 117.51 120.79 2jgg h ILE 270 Ca 0.11 -1.18 0.18 0.00 1.00 0.00 0.00 64.86 64.97 2jgg h ILE 270 Cb -0.04 2.12 -0.17 0.00 -0.74 0.00 0.00 36.82 37.99 2jgg h ILE 270 CO -0.02 0.32 -0.22 0.00 0.00 0.00 0.00 178.15 178.22 2jgg h ALA 271 N 0.53 0.59 -0.46 1.87 0.00 -1.07 0.48 119.26 121.20 2jgg h ALA 271 Ca 0.00 0.35 0.05 0.00 0.00 0.00 0.00 54.91 55.31 2jgg h ALA 271 Cb 0.53 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2jgg h ALA 271 CO 0.01 -0.39 0.20 0.00 0.00 0.00 0.00 179.25 179.07 2jgg h LEU 273 N 0.40 0.38 -0.94 0.00 3.38 0.14 -2.16 115.31 116.52 2jgg h LEU 273 Ca 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2jgg h LEU 273 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jgg h LEU 273 CO -0.18 0.36 0.00 0.54 0.09 0.00 0.00 178.44 179.25 2jgg n ARG 274 N -4.40 0.18 0.00 1.13 1.74 0.30 -1.98 116.66 113.63 2jgg n ARG 274 Ca 0.01 0.49 0.13 0.00 -0.77 0.00 0.00 57.85 57.71 2jgg n ARG 274 Cb 0.14 -1.91 0.35 0.00 -1.02 0.00 0.00 32.46 30.02 2jgg n ARG 274 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2jgg n THR 275 N -2.26 0.00 -3.23 0.55 -2.24 -0.81 -4.88 114.28 101.41 2jgg n THR 275 Ca 0.01 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 2jgg n THR 275 Cb 0.17 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 2jgg n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jgg s ARG 276 N -2.62 4.28 0.13 -0.78 1.81 -0.84 -5.02 118.95 115.91 2jgg s ARG 276 Ca 0.21 0.51 -0.32 0.00 -1.72 0.00 0.00 55.73 54.41 2jgg s ARG 276 Cb 0.19 -3.50 -0.18 0.00 -0.45 0.00 0.00 34.95 31.01 2jgg s ARG 276 CO 0.56 -0.02 0.71 -2.30 -0.68 0.00 0.00 175.30 173.58 2jgg n PRO 277 N 4.28 0.01 -0.30 3.54 -0.01 -1.26 -4.84 135.00 136.42 2jgg n PRO 277 Ca -0.05 0.00 0.03 0.00 -0.01 0.00 0.00 63.50 63.47 2jgg n PRO 277 Cb 0.51 -1.18 0.10 0.00 -0.01 0.00 0.00 33.50 32.92 2jgg n PRO 277 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2jgg h ALA 278 N 1.70 0.50 0.00 3.55 0.00 -1.96 -1.09 119.26 121.96 2jgg h ALA 278 Ca -0.36 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2jgg h ALA 278 Cb 1.44 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 2jgg h ALA 278 CO 0.60 -0.43 -0.20 0.37 0.00 0.00 0.00 179.25 179.59 2jgg h GLN 279 N -0.01 0.00 -0.34 0.00 5.75 -1.99 -2.09 115.11 116.43 2jgg h GLN 279 Ca 0.40 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.95 2jgg h GLN 279 Cb 0.62 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.12 2jgg h GLN 279 CO -0.87 0.20 0.06 -0.44 -2.65 0.00 0.00 178.83 175.12 2jgg h ASP 280 N 0.00 -0.01 0.27 -0.69 3.32 -1.54 0.22 116.42 117.99 2jgg h ASP 280 Ca -0.00 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2jgg h ASP 280 Cb 0.62 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 2jgg h ASP 280 CO 0.03 0.03 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.36 2jgg h LEU 281 N 0.17 -0.37 -0.98 1.55 4.07 -1.45 -3.11 115.31 115.19 2jgg h LEU 281 Ca 0.16 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.19 2jgg h LEU 281 Cb 0.18 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.97 2jgg h LEU 281 CO -0.22 -0.25 0.64 0.58 -1.08 0.00 0.00 178.44 178.11 2jgg h VAL 282 N -0.39 1.12 -0.99 1.22 2.07 -1.25 -1.04 116.25 116.98 2jgg h VAL 282 Ca -0.03 -0.41 0.36 0.00 0.82 0.00 0.00 66.70 67.44 2jgg h VAL 282 Cb 0.32 -0.18 -0.17 0.00 -1.52 0.00 0.00 31.29 29.74 2jgg h VAL 282 CO 0.04 0.22 0.42 0.44 0.02 0.00 0.00 177.57 178.71 2jgg h ASP 283 N 1.19 0.18 -0.29 0.57 3.32 -0.49 -2.42 116.42 118.47 2jgg h ASP 283 Ca 0.41 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.71 2jgg h ASP 283 Cb 0.10 0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2jgg h ASP 283 CO -0.15 -0.34 0.00 1.41 -1.72 0.00 0.00 179.24 178.44 2jgg n HIS 284 N -5.26 0.58 -0.10 4.55 8.25 -0.43 -4.65 115.22 118.17 2jgg n HIS 284 Ca 0.32 -0.63 -0.07 0.00 -0.26 0.00 0.00 57.72 57.08 2jgg n HIS 284 Cb 1.07 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 32.06 2jgg n HIS 284 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2jgg h GLU 285 N 1.78 0.30 0.00 -0.41 5.08 -1.00 -3.07 114.58 117.26 2jgg h GLU 285 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jgg h GLU 285 Cb 0.96 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2jgg h GLU 285 CO 0.07 0.20 0.00 0.91 -1.00 0.00 0.00 179.01 179.19 2jgg n TRP 286 N -4.97 0.00 1.30 4.33 7.02 -1.26 -3.51 117.44 120.35 2jgg n TRP 286 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 2jgg n TRP 286 Cb 0.10 -0.22 0.38 0.00 -2.42 0.00 0.00 31.31 29.15 2jgg n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2jgg n HIS 287 N -1.22 0.00 -0.44 -5.99 8.25 -1.16 -4.21 115.22 110.44 2jgg n HIS 287 Ca 0.16 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.73 2jgg n HIS 287 Cb 0.20 -0.06 0.33 0.00 1.12 0.00 0.00 29.99 31.58 2jgg n HIS 287 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2jgg n VAL 288 N -0.21 1.23 -2.62 1.59 0.24 -1.23 -4.96 118.33 112.37 2jgg n VAL 288 Ca 0.14 -1.06 -0.41 0.00 -2.04 0.00 0.00 64.34 60.98 2jgg n VAL 288 Cb 0.37 0.40 -0.05 0.00 -1.47 0.00 0.00 33.84 33.09 2jgg n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jgg s LEU 289 N -1.23 4.56 0.41 1.34 1.43 -1.26 -4.81 118.68 119.11 2jgg s LEU 289 Ca 0.50 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.71 2jgg s LEU 289 Cb 0.28 -3.61 0.88 0.00 0.03 0.00 0.00 46.19 43.76 2jgg s LEU 289 CO 0.31 -0.05 2.03 1.55 0.23 0.00 0.00 176.35 180.43 2jgg h PRO 290 N 4.58 0.54 -4.90 1.29 0.13 -1.98 -3.46 132.00 128.21 2jgg h PRO 290 Ca -0.45 -0.03 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 2jgg h PRO 290 Cb 1.21 -0.12 -0.15 0.00 0.13 0.00 0.00 31.00 32.07 2jgg h PRO 290 CO 0.70 0.36 -0.69 -0.65 -0.23 0.00 0.00 178.00 177.48 2jgg s GLN 291 N -5.50 1.06 0.10 0.86 1.11 -1.26 -5.11 119.66 110.92 2jgg s GLN 291 Ca -0.08 -1.48 -0.31 0.00 0.01 0.00 0.00 55.36 53.50 2jgg s GLN 291 Cb 0.18 -0.42 -0.08 0.00 -1.01 0.00 0.00 33.01 31.67 2jgg s GLN 291 CO 0.74 -0.03 1.53 -2.00 0.01 0.00 0.00 175.29 175.54 2jgg s GLU 292 N -3.83 4.24 0.06 2.91 2.12 -1.26 -4.98 118.70 117.97 2jgg s GLU 292 Ca 0.19 2.23 -0.05 0.00 0.36 0.00 0.00 54.97 57.70 2jgg s GLU 292 Cb 0.05 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 2jgg s GLU 292 CO 0.01 -0.60 0.09 -1.12 -0.54 0.00 0.00 175.26 173.11 2jgg s SER 293 N 1.63 0.26 0.16 -1.70 0.01 -1.26 -4.61 113.70 108.19 2jgg s SER 293 Ca 0.69 -0.73 0.06 0.00 1.31 0.00 0.00 55.95 57.27 2jgg s SER 293 Cb -0.39 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 2jgg s SER 293 CO 0.31 -0.63 -0.12 0.27 0.41 0.00 0.00 173.24 173.48 2jgg s ILE 294 N -3.55 1.35 -1.47 1.44 -4.36 -1.01 -4.84 121.20 108.76 2jgg s ILE 294 Ca 0.03 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.22 2jgg s ILE 294 Cb 0.04 -1.89 0.06 0.00 1.25 0.00 0.00 42.46 41.92 2jgg s ILE 294 CO -0.09 -0.68 0.89 0.33 0.24 0.00 0.00 174.94 175.63 2jgg n PHE 295 N -0.21 -2.29 -3.95 1.37 -0.00 -1.26 -4.81 117.46 106.31 2jgg n PHE 295 Ca -0.10 0.80 -0.12 0.00 -0.00 0.00 0.00 57.45 58.03 2jgg n PHE 295 Cb 0.60 -4.10 -0.13 0.00 -0.00 0.00 0.00 39.48 35.85 2jgg n PHE 295 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2jgg s ARG 296 N -6.33 0.18 -0.01 -4.13 6.06 -1.26 -4.72 118.95 108.74 2jgg s ARG 296 Ca 0.56 -0.24 0.00 0.00 -2.50 0.00 0.00 55.73 53.55 2jgg s ARG 296 Cb -0.27 -0.05 0.01 0.00 0.06 0.00 0.00 34.95 34.69 2jgg s ARG 296 CO 0.69 0.01 -0.01 -0.06 -2.50 0.00 0.00 175.30 173.43 2jgg s PHE 297 N -0.49 0.15 0.07 5.12 0.08 -1.26 -5.04 117.98 116.60 2jgg s PHE 297 Ca -0.04 0.00 -0.22 0.00 0.12 0.00 0.00 56.93 56.79 2jgg s PHE 297 Cb -0.04 -0.16 -0.13 0.00 -0.57 0.00 0.00 43.02 42.12 2jgg s PHE 297 CO -0.00 -0.04 1.58 0.77 -0.10 0.00 0.00 175.22 177.43 2jgg h SER 298 N 6.49 0.14 -3.59 1.36 0.02 -1.89 -3.40 113.55 112.68 2jgg h SER 298 Ca -0.31 -0.19 -0.63 0.00 -0.84 0.00 0.00 61.79 59.81 2jgg h SER 298 Cb 1.18 -0.04 -0.39 0.00 0.14 0.00 0.00 62.40 63.29 2jgg h SER 298 CO 0.50 0.29 -0.75 -0.36 -1.14 0.00 0.00 176.83 175.37 2jgg s PHE 299 N -5.44 2.94 0.20 3.45 0.08 -1.26 -5.03 117.98 112.92 2jgg s PHE 299 Ca -0.14 -2.35 0.01 0.00 0.12 0.00 0.00 56.93 54.57 2jgg s PHE 299 Cb 0.06 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 2jgg s PHE 299 CO 0.69 -0.88 0.06 0.14 -0.10 0.00 0.00 175.22 175.13 2jgg s VAL 300 N 1.20 0.45 0.48 -0.44 -7.23 -1.26 -4.49 120.40 109.11 2jgg s VAL 300 Ca 0.04 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.03 2jgg s VAL 300 Cb -0.19 -2.36 -0.12 0.00 0.56 0.00 0.00 36.38 34.27 2jgg s VAL 300 CO -0.11 -0.23 0.31 -2.65 -0.31 0.00 0.00 175.10 172.12 2jgg n PRO 301 N -0.31 0.33 -5.07 4.82 -0.02 -1.25 -4.68 135.00 128.82 2jgg n PRO 301 Ca -0.03 0.12 -0.28 0.00 -2.02 0.00 0.00 63.50 61.29 2jgg n PRO 301 Cb 0.65 -1.37 -0.16 0.00 -0.02 0.00 0.00 33.50 32.60 2jgg n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jgg s VAL 302 N -1.71 1.74 -0.44 -1.45 0.11 -1.26 -1.76 120.40 115.63 2jgg s VAL 302 Ca 0.63 -0.92 -0.28 0.00 -2.93 0.00 0.00 61.98 58.47 2jgg s VAL 302 Cb -0.53 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.86 2jgg s VAL 302 CO 0.60 0.49 1.53 -0.69 -3.33 0.00 0.00 175.10 173.70 2jgg s VAL 303 N -0.32 3.75 -0.71 2.04 1.01 -0.56 -4.68 120.40 120.91 2jgg s VAL 303 Ca 0.03 0.72 0.12 0.00 0.00 0.00 0.00 61.98 62.85 2jgg s VAL 303 Cb -0.10 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 2jgg s VAL 303 CO 0.01 -0.78 0.56 -0.90 0.00 0.00 0.00 175.10 173.99 2jgg n ASP 304 N 9.59 0.77 0.00 3.32 5.75 -1.21 -3.54 116.55 131.23 2jgg n ASP 304 Ca 0.17 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 2jgg n ASP 304 Cb 0.48 0.87 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 2jgg n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jgg n GLY 305 N 1.21 1.45 0.00 6.12 0.00 -0.10 -4.86 105.19 109.01 2jgg n GLY 305 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2jgg n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jgg n ASP 306 N 0.00 0.00 -0.11 1.61 2.03 -1.26 -4.36 116.55 114.46 2jgg n ASP 306 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 2jgg n ASP 306 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2jgg n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jgg h PHE 307 N 0.00 0.40 -3.68 -0.67 3.04 -1.92 -3.34 116.94 110.78 2jgg h PHE 307 Ca 0.00 0.01 -0.69 0.00 3.98 0.00 0.00 57.97 61.27 2jgg h PHE 307 Cb 0.00 -0.13 -0.30 0.00 2.56 0.00 0.00 35.95 38.08 2jgg h PHE 307 CO 0.00 0.23 -0.62 -0.51 -2.02 0.00 0.00 178.31 175.39 2jgg s LEU 308 N -10.21 4.29 0.52 0.59 1.43 -1.26 -4.62 118.68 109.42 2jgg s LEU 308 Ca -0.13 -1.24 0.33 0.00 -1.03 0.00 0.00 54.13 52.06 2jgg s LEU 308 Cb 0.11 -1.83 1.42 0.00 0.03 0.00 0.00 46.19 45.92 2jgg s LEU 308 CO 0.72 -0.33 1.98 0.77 0.23 0.00 0.00 176.35 179.72 2jgg h SER 309 N 8.16 0.00 -2.58 2.29 4.64 -1.76 -0.21 113.55 124.09 2jgg h SER 309 Ca -0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 2jgg h SER 309 Cb 1.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2jgg h SER 309 CO 0.59 0.00 0.23 -0.67 -0.87 0.00 0.00 176.83 176.11 2jgg n ASP 310 N -2.95 -1.84 -4.76 4.97 -0.08 -1.26 -4.43 116.55 106.20 2jgg n ASP 310 Ca 0.00 -2.27 -0.37 0.00 -1.51 0.00 0.00 54.79 50.65 2jgg n ASP 310 Cb 0.27 3.06 0.02 0.00 2.34 0.00 0.00 41.12 46.81 2jgg n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jgg s THR 311 N -2.28 2.55 0.53 5.18 -4.23 -1.26 -4.78 115.64 111.35 2jgg s THR 311 Ca 0.13 0.39 0.24 0.00 -1.18 0.00 0.00 61.69 61.27 2jgg s THR 311 Cb -0.04 -3.19 0.38 0.00 1.34 0.00 0.00 72.50 71.00 2jgg s THR 311 CO 0.09 -0.03 2.01 -0.65 -0.54 0.00 0.00 174.62 175.51 2jgg h PRO 312 N 1.47 0.01 0.69 3.99 0.11 -1.98 0.13 132.00 136.43 2jgg h PRO 312 Ca -0.50 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2jgg h PRO 312 Cb 1.28 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 2jgg h PRO 312 CO 0.57 0.00 -0.33 1.49 -0.21 0.00 0.00 178.00 179.53 2jgg h GLU 313 N 0.01 -0.90 -0.52 1.05 4.81 -1.90 0.61 114.58 117.74 2jgg h GLU 313 Ca 0.23 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.61 2jgg h GLU 313 Cb 0.90 0.20 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 2jgg h GLU 313 CO -0.00 -0.59 0.10 0.00 -0.73 0.00 0.00 179.01 177.79 2jgg h ALA 314 N -0.68 0.58 -0.25 2.92 0.00 -1.58 -1.67 119.26 118.58 2jgg h ALA 314 Ca -0.10 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2jgg h ALA 314 Cb 0.73 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2jgg h ALA 314 CO 0.16 -0.31 -0.26 -0.07 0.00 0.00 0.00 179.25 178.77 2jgg h LEU 315 N 0.23 0.48 -0.32 0.00 3.38 -0.57 -1.74 115.31 116.77 2jgg h LEU 315 Ca 0.26 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2jgg h LEU 315 Cb 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jgg h LEU 315 CO -0.35 0.73 -0.49 0.16 0.09 0.00 0.00 178.44 178.58 2jgg h ILE 316 N 0.42 0.91 0.00 1.22 3.07 -0.62 -2.08 117.51 120.44 2jgg h ILE 316 Ca 0.06 -2.05 -0.04 0.00 1.55 0.00 0.00 64.86 64.37 2jgg h ILE 316 Cb 0.67 2.28 -0.01 0.00 -0.27 0.00 0.00 36.82 39.50 2jgg h ILE 316 CO 0.05 0.48 -0.21 0.78 -1.05 0.00 0.00 178.15 178.19 2jgg h ASN 317 N 0.00 0.00 0.00 2.16 2.35 -0.40 -3.36 115.58 116.33 2jgg h ASN 317 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jgg h ASN 317 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2jgg h ASN 317 CO 0.06 0.21 0.00 0.35 -1.65 0.00 0.00 177.43 176.41 2jgg n THR 318 N -3.32 0.00 -1.30 2.81 -2.24 -1.03 -5.07 114.28 104.12 2jgg n THR 318 Ca 0.01 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 2jgg n THR 318 Cb 0.46 1.07 0.13 0.00 -2.10 0.00 0.00 70.33 69.89 2jgg n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jgg s GLY 319 N -0.54 1.61 -0.22 3.38 0.00 -0.78 -5.05 107.32 105.71 2jgg s GLY 319 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.52 2jgg s GLY 319 CO 0.00 0.32 -0.08 -0.35 0.00 0.00 0.00 173.10 172.99 2jgg s ASP 320 N -3.58 4.07 -0.29 1.64 2.15 -1.26 -4.92 116.67 114.48 2jgg s ASP 320 Ca 0.63 -0.65 0.07 0.00 0.43 0.00 0.00 52.55 53.03 2jgg s ASP 320 Cb -0.17 -1.66 0.46 0.00 -0.30 0.00 0.00 42.92 41.25 2jgg s ASP 320 CO 0.56 -0.06 1.20 0.49 -0.17 0.00 0.00 175.17 177.19 2jgg n PHE 321 N 4.71 2.73 0.35 -5.34 3.72 -0.95 -4.86 117.46 117.82 2jgg n PHE 321 Ca -0.18 -2.22 -0.17 0.00 -0.05 0.00 0.00 57.45 54.83 2jgg n PHE 321 Cb 0.49 -0.35 -0.09 0.00 -0.94 0.00 0.00 39.48 38.59 2jgg n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2jgg h GLN 322 N 2.17 -0.83 -1.44 -1.08 1.08 -1.76 -1.22 115.11 112.02 2jgg h GLN 322 Ca 0.37 0.06 -0.47 0.00 -1.45 0.00 0.00 58.65 57.15 2jgg h GLN 322 Cb 1.53 0.19 -0.19 0.00 -0.05 0.00 0.00 27.48 28.95 2jgg h GLN 322 CO 0.76 -0.53 0.59 -0.25 -0.95 0.00 0.00 178.83 178.44 2jgg n ASP 323 N -5.44 6.90 -4.21 1.46 8.00 -1.26 -4.50 116.55 117.50 2jgg n ASP 323 Ca -0.13 -3.34 -0.29 0.00 0.71 0.00 0.00 54.79 51.74 2jgg n ASP 323 Cb 0.36 -1.06 -0.16 0.00 -0.02 0.00 0.00 41.12 40.24 2jgg n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jgg s LEU 324 N -2.58 2.00 -0.07 0.64 2.96 -1.21 -5.01 118.68 115.41 2jgg s LEU 324 Ca 0.46 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 2jgg s LEU 324 Cb 0.35 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 2jgg s LEU 324 CO -0.05 0.21 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.92 2jgg s GLN 325 N -0.13 2.69 -0.02 1.98 1.11 -1.26 -1.42 119.66 122.61 2jgg s GLN 325 Ca -0.02 -0.75 0.01 0.00 0.01 0.00 0.00 55.36 54.61 2jgg s GLN 325 Cb -0.12 -2.37 0.01 0.00 -1.01 0.00 0.00 33.01 29.52 2jgg s GLN 325 CO 0.02 0.47 -0.02 0.08 0.01 0.00 0.00 175.29 175.86 2jgg s VAL 326 N -0.35 0.24 -0.26 1.09 1.01 -0.05 -2.75 120.40 119.32 2jgg s VAL 326 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 2jgg s VAL 326 Cb -0.12 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.03 2jgg s VAL 326 CO 0.02 0.11 -0.06 -0.22 0.00 0.00 0.00 175.10 174.96 2jgg s LEU 327 N 0.45 3.37 0.20 3.92 2.96 -0.71 -1.19 118.68 127.68 2jgg s LEU 327 Ca -0.04 -1.04 0.10 0.00 -0.22 0.00 0.00 54.13 52.93 2jgg s LEU 327 Cb -0.07 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2jgg s LEU 327 CO -0.01 -0.17 -0.21 0.68 -1.32 0.00 0.00 176.35 175.32 2jgg s VAL 328 N 1.28 2.17 0.05 1.68 -7.23 0.19 -0.84 120.40 117.70 2jgg s VAL 328 Ca -0.02 -2.06 -0.21 0.00 -1.81 0.00 0.00 61.98 57.88 2jgg s VAL 328 Cb -0.18 -2.06 0.07 0.00 0.56 0.00 0.00 36.38 34.78 2jgg s VAL 328 CO -0.04 -0.25 0.97 0.61 -0.31 0.00 0.00 175.10 176.09 2jgg n GLY 329 N 0.11 0.47 3.30 2.32 0.00 -1.02 -1.42 105.19 108.94 2jgg n GLY 329 Ca -0.11 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 2jgg n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jgg s VAL 330 N -2.08 0.03 0.37 1.61 -7.23 -1.05 -0.81 120.40 111.24 2jgg s VAL 330 Ca 0.22 -1.73 0.05 0.00 -1.81 0.00 0.00 61.98 58.72 2jgg s VAL 330 Cb -0.01 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 2jgg s VAL 330 CO 0.02 -0.16 0.53 0.68 -0.31 0.00 0.00 175.10 175.86 2jgg s VAL 331 N -4.07 3.96 0.41 1.32 -7.23 -1.26 -0.75 120.40 112.78 2jgg s VAL 331 Ca 0.28 -0.88 0.18 0.00 -1.81 0.00 0.00 61.98 59.75 2jgg s VAL 331 Cb 0.05 -3.39 0.20 0.00 0.56 0.00 0.00 36.38 33.79 2jgg s VAL 331 CO 0.07 -0.18 1.97 0.50 -0.31 0.00 0.00 175.10 177.15 2jgg h LYS 332 N 0.74 0.00 -1.67 4.82 3.64 -1.24 -3.31 116.57 119.56 2jgg h LYS 332 Ca -0.45 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.41 2jgg h LYS 332 Cb 1.26 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.67 2jgg h LYS 332 CO 0.53 0.21 -0.91 -0.25 -2.27 0.00 0.00 179.45 176.76 2jgg n ASP 333 N -4.04 3.13 -0.37 4.20 9.92 -0.44 -4.90 116.55 124.05 2jgg n ASP 333 Ca -0.02 -3.33 0.29 0.00 -0.53 0.00 0.00 54.79 51.19 2jgg n ASP 333 Cb 0.28 -0.53 0.55 0.00 -0.64 0.00 0.00 41.12 40.78 2jgg n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jgg h GLU 334 N 2.86 0.22 0.00 -1.24 4.39 -1.76 -2.69 114.58 116.36 2jgg h GLU 334 Ca 0.12 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.60 2jgg h GLU 334 Cb 0.89 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 2jgg h GLU 334 CO 0.69 0.15 -1.46 0.78 -1.16 0.00 0.00 179.01 178.01 2jgg h GLY 335 N 0.23 0.00 -0.33 -3.84 0.00 -1.84 -3.40 103.07 93.88 2jgg h GLY 335 Ca 0.75 0.00 0.11 0.00 0.00 0.00 0.00 47.33 48.19 2jgg h GLY 335 CO -0.51 0.00 -0.27 1.48 0.00 0.00 0.00 176.54 177.24 2jgg h SER 336 N 0.00 -0.94 -1.00 0.19 4.64 -1.66 -0.49 113.55 114.29 2jgg h SER 336 Ca -0.19 0.21 0.27 0.00 -0.47 0.00 0.00 61.79 61.60 2jgg h SER 336 Cb 1.74 0.50 -0.13 0.00 -0.31 0.00 0.00 62.40 64.20 2jgg h SER 336 CO 0.06 -0.28 0.59 0.22 -0.87 0.00 0.00 176.83 176.56 2jgg h TYR 337 N -0.12 0.99 0.00 4.77 3.20 -1.79 -1.82 116.97 122.21 2jgg h TYR 337 Ca 0.25 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2jgg h TYR 337 Cb 0.52 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2jgg h TYR 337 CO -0.58 0.00 -0.04 1.19 -1.64 0.00 0.00 178.16 177.09 2jgg n PHE 338 N -4.93 0.13 0.04 -3.82 3.01 -0.19 -3.86 117.46 107.84 2jgg n PHE 338 Ca 0.28 0.04 -0.10 0.00 1.01 0.00 0.00 57.45 58.68 2jgg n PHE 338 Cb 0.81 -0.55 0.03 0.00 -0.01 0.00 0.00 39.48 39.77 2jgg n PHE 338 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2jgg h LEU 339 N 0.00 0.53 0.00 4.37 3.38 -1.37 -2.90 115.31 119.33 2jgg h LEU 339 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2jgg h LEU 339 Cb 0.54 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2jgg h LEU 339 CO 0.00 1.06 0.00 1.33 0.09 0.00 0.00 178.44 180.92 2jgg n VAL 340 N -3.87 0.99 -1.10 1.22 0.24 -1.25 -1.51 118.33 113.04 2jgg n VAL 340 Ca -0.04 0.25 -0.27 0.00 -2.04 0.00 0.00 64.34 62.24 2jgg n VAL 340 Cb 0.68 -1.03 0.08 0.00 -1.47 0.00 0.00 33.84 32.10 2jgg n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgg n TYR 341 N -1.44 2.60 0.00 6.34 4.02 -1.10 -4.73 117.16 122.86 2jgg n TYR 341 Ca 0.04 -2.44 0.00 0.00 -0.01 0.00 0.00 57.90 55.49 2jgg n TYR 341 Cb 0.14 -1.19 0.00 0.00 -0.02 0.00 0.00 39.34 38.27 2jgg n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jgg n GLY 342 N -0.54 1.86 3.54 2.72 0.00 -1.19 -4.89 105.19 106.69 2jgg n GLY 342 Ca 0.51 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 2jgg n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgg s VAL 343 N -1.98 5.16 0.21 1.61 1.01 -0.57 -5.00 120.40 120.84 2jgg s VAL 343 Ca 0.00 0.06 -0.32 0.00 0.00 0.00 0.00 61.98 61.72 2jgg s VAL 343 Cb 0.00 -3.83 -0.13 0.00 0.00 0.00 0.00 36.38 32.42 2jgg s VAL 343 CO 0.00 -0.10 1.59 -2.65 0.00 0.00 0.00 175.10 173.94 2jgg n PRO 344 N 5.40 2.40 0.00 2.72 -0.02 -1.26 -2.30 135.00 141.95 2jgg n PRO 344 Ca -0.09 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2jgg n PRO 344 Cb 0.49 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2jgg n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgg n GLY 345 N 3.11 2.18 3.61 -1.23 0.00 -1.26 -4.92 105.19 106.67 2jgg n GLY 345 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2jgg n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jgg s PHE 346 N -2.36 3.14 0.03 1.61 0.40 -0.97 -4.44 117.98 115.38 2jgg s PHE 346 Ca 0.00 -0.01 -0.24 0.00 -0.60 0.00 0.00 56.93 56.09 2jgg s PHE 346 Cb 0.00 -1.92 0.05 0.00 0.51 0.00 0.00 43.02 41.66 2jgg s PHE 346 CO 0.00 0.22 0.54 0.45 0.70 0.00 0.00 175.22 177.13 2jgg s SER 347 N -0.14 -0.48 0.46 1.36 0.15 -1.26 -4.59 113.70 109.20 2jgg s SER 347 Ca 0.05 0.28 0.31 0.00 0.70 0.00 0.00 55.95 57.28 2jgg s SER 347 Cb -0.13 0.50 1.27 0.00 -1.71 0.00 0.00 66.02 65.95 2jgg s SER 347 CO 0.02 -0.69 1.91 0.07 1.20 0.00 0.00 173.24 175.75 2jgg h LYS 348 N 2.86 0.00 0.07 5.44 2.10 -1.98 -3.37 116.57 121.69 2jgg h LYS 348 Ca -0.30 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.05 2jgg h LYS 348 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 2jgg h LYS 348 CO 0.40 0.00 -1.62 -0.44 -2.00 0.00 0.00 179.45 175.80 2jgg h ASP 349 N 0.00 0.25 -1.93 7.07 3.32 -2.01 -3.40 116.42 119.72 2jgg h ASP 349 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.29 2jgg h ASP 349 Cb 0.46 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2jgg h ASP 349 CO 0.00 1.68 0.00 -0.46 -1.72 0.00 0.00 179.24 178.74 2jgg n ASN 350 N -3.93 0.00 -0.81 6.45 0.23 -1.26 -5.03 115.26 110.91 2jgg n ASN 350 Ca -0.31 -0.37 0.12 0.00 -0.53 0.00 0.00 54.58 53.49 2jgg n ASN 350 Cb 0.88 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.86 2jgg n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jgg n GLU 351 N -0.37 2.10 -3.26 -3.83 1.02 -1.26 -4.84 120.64 110.19 2jgg n GLU 351 Ca 0.00 -1.62 -0.23 0.00 -0.02 0.00 0.00 57.16 55.29 2jgg n GLU 351 Cb 0.00 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 29.96 2jgg n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jgg n SER 352 N 0.91 -4.55 -4.75 1.62 7.64 -1.26 -4.93 113.62 108.29 2jgg n SER 352 Ca 0.17 -0.36 -0.41 0.00 1.01 0.00 0.00 58.87 59.27 2jgg n SER 352 Cb 0.49 -3.72 -0.02 0.00 -1.01 0.00 0.00 64.21 59.95 2jgg n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jgg s LEU 353 N -6.58 4.37 0.31 -3.43 1.43 -1.26 -4.74 118.68 108.79 2jgg s LEU 353 Ca 0.37 2.80 0.06 0.00 -1.03 0.00 0.00 54.13 56.33 2jgg s LEU 353 Cb -0.19 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.33 2jgg s LEU 353 CO 0.46 -0.76 -0.01 0.27 0.23 0.00 0.00 176.35 176.54 2jgg s ILE 354 N -0.28 1.53 0.25 -0.59 -4.36 -1.25 -5.00 121.20 111.51 2jgg s ILE 354 Ca 0.58 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.93 2jgg s ILE 354 Cb -0.44 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.60 2jgg s ILE 354 CO 0.48 -0.16 0.40 -0.94 0.24 0.00 0.00 174.94 174.96 2jgg s SER 355 N -3.49 6.33 0.29 4.36 1.04 -1.26 -4.09 113.70 116.87 2jgg s SER 355 Ca 0.33 0.24 0.03 0.00 0.48 0.00 0.00 55.95 57.02 2jgg s SER 355 Cb 0.06 -1.94 0.72 0.00 0.10 0.00 0.00 66.02 64.97 2jgg s SER 355 CO 0.14 -0.11 1.67 -0.09 0.98 0.00 0.00 173.24 175.83 2jgg h ARG 356 N 1.32 0.29 -0.35 4.02 9.65 -1.89 -0.58 114.38 126.85 2jgg h ARG 356 Ca -0.50 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.33 2jgg h ARG 356 Cb 1.22 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 2jgg h ARG 356 CO 0.63 0.19 0.10 0.00 2.80 0.00 0.00 179.97 183.69 2jgg h ALA 357 N 1.74 0.46 -0.79 2.80 0.00 -1.99 -1.72 119.26 119.76 2jgg h ALA 357 Ca 0.56 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.35 2jgg h ALA 357 Cb 1.10 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2jgg h ALA 357 CO -0.59 0.11 0.52 1.96 0.00 0.00 0.00 179.25 181.25 2jgg h GLN 358 N 0.42 0.90 -0.36 0.00 4.20 -1.78 -2.62 115.11 115.86 2jgg h GLN 358 Ca 0.11 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 2jgg h GLN 358 Cb 0.27 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2jgg h GLN 358 CO -0.00 0.59 -0.26 0.35 -0.67 0.00 0.00 178.83 178.84 2jgg h PHE 359 N 0.92 0.96 -0.10 2.96 3.04 -0.35 0.29 116.94 124.66 2jgg h PHE 359 Ca 0.32 -0.26 -0.09 0.00 3.98 0.00 0.00 57.97 61.92 2jgg h PHE 359 Cb 0.12 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 2jgg h PHE 359 CO -0.00 1.04 -0.35 -0.07 -2.02 0.00 0.00 178.31 176.91 2jgg h LEU 360 N 0.61 0.20 -0.06 0.59 3.38 -1.09 -2.17 115.31 116.77 2jgg h LEU 360 Ca 0.07 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2jgg h LEU 360 Cb 0.83 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.54 2jgg h LEU 360 CO 0.07 0.54 -0.62 0.00 0.09 0.00 0.00 178.44 178.51 2jgg h ALA 361 N 1.48 0.16 -0.84 1.53 0.00 -1.33 -3.13 119.26 117.13 2jgg h ALA 361 Ca 0.02 -0.56 0.18 0.00 0.00 0.00 0.00 54.91 54.56 2jgg h ALA 361 Cb 0.70 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2jgg h ALA 361 CO 0.05 0.43 0.56 0.78 0.00 0.00 0.00 179.25 181.07 2jgg h GLY 362 N 0.11 0.74 1.50 0.00 0.00 -0.22 -2.04 103.07 103.16 2jgg h GLY 362 Ca -0.06 -0.17 -0.20 0.00 0.00 0.00 0.00 47.33 46.90 2jgg h GLY 362 CO 0.13 0.02 -0.77 -2.08 0.00 0.00 0.00 176.54 173.84 2jgg h VAL 363 N 0.38 1.36 0.00 4.60 2.07 -1.35 -2.25 116.25 121.06 2jgg h VAL 363 Ca 0.42 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.80 2jgg h VAL 363 Cb 1.07 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2jgg h VAL 363 CO -0.14 0.65 0.00 0.54 0.02 0.00 0.00 177.57 178.64 2jgg n ARG 364 N -3.85 0.09 -0.05 1.57 5.12 -0.77 -0.72 116.66 118.05 2jgg n ARG 364 Ca -0.05 0.30 -0.14 0.00 -1.93 0.00 0.00 57.85 56.03 2jgg n ARG 364 Cb 0.73 -1.66 -0.14 0.00 -1.16 0.00 0.00 32.46 30.23 2jgg n ARG 364 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2jgg n ILE 365 N -1.83 1.58 0.08 0.55 5.41 -1.14 -3.76 119.36 120.25 2jgg n ILE 365 Ca 0.03 -0.74 -0.16 0.00 1.00 0.00 0.00 62.75 62.89 2jgg n ILE 365 Cb 0.22 -1.13 -0.08 0.00 -0.71 0.00 0.00 39.64 37.93 2jgg n ILE 365 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2jgg h GLY 366 N 2.79 0.46 -6.14 7.39 0.00 -1.00 -2.69 103.07 103.89 2jgg h GLY 366 Ca -0.43 -0.91 -0.63 0.00 0.00 0.00 0.00 47.33 45.35 2jgg h GLY 366 CO 0.04 0.81 -0.35 -0.62 0.00 0.00 0.00 176.54 176.42 2jgg n VAL 367 N -3.70 3.05 0.29 4.60 0.31 0.10 -4.84 118.33 118.15 2jgg n VAL 367 Ca -0.08 -5.42 0.17 0.00 -0.01 0.00 0.00 64.34 59.00 2jgg n VAL 367 Cb 0.91 -1.96 0.89 0.00 -0.91 0.00 0.00 33.84 32.77 2jgg n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jgg h PRO 368 N 4.14 0.00 -0.03 5.55 0.13 -1.66 -0.45 132.00 139.67 2jgg h PRO 368 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2jgg h PRO 368 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2jgg h PRO 368 CO 0.92 0.05 0.00 1.04 -0.23 0.00 0.00 178.00 179.78 2jgg n GLN 369 N -3.40 1.41 -2.84 0.86 3.00 -1.26 -4.92 117.38 110.24 2jgg n GLN 369 Ca -0.02 -0.61 -0.40 0.00 -0.01 0.00 0.00 57.00 55.97 2jgg n GLN 369 Cb 0.18 -1.45 -0.06 0.00 0.00 0.00 0.00 30.24 28.91 2jgg n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jgg s ALA 370 N -1.97 3.36 0.90 -1.58 0.00 -0.18 -5.07 121.76 117.22 2jgg s ALA 370 Ca 0.39 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 2jgg s ALA 370 Cb 0.20 -3.13 0.13 0.00 0.00 0.00 0.00 23.12 20.32 2jgg s ALA 370 CO 0.32 0.19 1.11 -1.54 0.00 0.00 0.00 175.76 175.85 2jgg s SER 371 N -0.91 3.54 0.19 0.00 1.04 -1.26 -4.77 113.70 111.53 2jgg s SER 371 Ca 0.40 1.14 -0.12 0.00 0.48 0.00 0.00 55.95 57.85 2jgg s SER 371 Cb -0.24 -1.78 0.20 0.00 0.10 0.00 0.00 66.02 64.30 2jgg s SER 371 CO 0.29 -2.55 1.75 0.44 0.98 0.00 0.00 173.24 174.16 2jgg h ASP 372 N -1.49 0.23 -0.65 7.02 3.32 -1.99 -0.26 116.42 122.60 2jgg h ASP 372 Ca -0.50 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 2jgg h ASP 372 Cb 1.31 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 2jgg h ASP 372 CO 0.60 0.16 0.31 0.25 -1.72 0.00 0.00 179.24 178.84 2jgg h LEU 373 N 0.40 0.85 -0.31 1.55 5.85 -1.99 0.33 115.31 121.99 2jgg h LEU 373 Ca 0.26 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2jgg h LEU 373 Cb 0.27 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2jgg h LEU 373 CO -0.25 0.74 0.17 0.00 -0.34 0.00 0.00 178.44 178.76 2jgg h ALA 374 N 1.14 0.40 -0.27 1.25 0.00 -1.82 -0.34 119.26 119.62 2jgg h ALA 374 Ca 0.22 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2jgg h ALA 374 Cb 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2jgg h ALA 374 CO -0.03 -0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.17 2jgg h ALA 375 N 1.04 0.26 -0.08 0.00 0.00 -0.78 -0.80 119.26 118.89 2jgg h ALA 375 Ca 0.11 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2jgg h ALA 375 Cb 0.06 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2jgg h ALA 375 CO -0.02 -0.39 -0.41 1.49 0.00 0.00 0.00 179.25 179.92 2jgg h GLU 376 N 0.11 -0.49 -0.78 0.00 4.57 -0.74 0.11 114.58 117.36 2jgg h GLU 376 Ca 0.13 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.49 2jgg h GLU 376 Cb 0.15 0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 28.76 2jgg h GLU 376 CO -0.20 -0.33 0.32 0.00 -1.18 0.00 0.00 179.01 177.62 2jgg h ALA 377 N 0.10 1.12 0.41 2.92 0.00 -0.42 0.84 119.26 124.23 2jgg h ALA 377 Ca 0.07 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2jgg h ALA 377 Cb 0.63 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2jgg h ALA 377 CO -0.36 -0.22 -0.20 0.28 0.00 0.00 0.00 179.25 178.75 2jgg h VAL 378 N 0.44 0.60 -0.54 0.00 2.07 -0.37 -1.82 116.25 116.63 2jgg h VAL 378 Ca 0.44 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.88 2jgg h VAL 378 Cb 0.69 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2jgg h VAL 378 CO -0.42 0.03 0.19 0.58 0.02 0.00 0.00 177.57 177.96 2jgg h VAL 379 N -0.64 0.79 -0.09 2.57 2.07 0.74 -0.31 116.25 121.38 2jgg h VAL 379 Ca -0.06 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 2jgg h VAL 379 Cb 0.47 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2jgg h VAL 379 CO 0.09 0.07 -0.36 -0.07 0.02 0.00 0.00 177.57 177.32 2jgg h LEU 380 N 0.36 0.19 -0.10 2.57 3.38 -0.84 0.19 115.31 121.05 2jgg h LEU 380 Ca 0.27 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2jgg h LEU 380 Cb 0.32 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jgg h LEU 380 CO -0.28 0.54 -0.07 -0.74 0.09 0.00 0.00 178.44 177.97 2jgg h HIS 381 N 0.16 0.27 0.00 1.13 2.76 -0.43 -3.30 115.15 115.75 2jgg h HIS 381 Ca 0.02 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2jgg h HIS 381 Cb 0.71 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.61 2jgg h HIS 381 CO 0.01 0.62 -0.29 0.66 -1.30 0.00 0.00 177.93 177.62 2jgg n TYR 382 N -4.69 0.48 -2.23 5.26 4.02 -0.21 -4.82 117.16 114.97 2jgg n TYR 382 Ca -0.07 0.14 -0.42 0.00 -0.01 0.00 0.00 57.90 57.55 2jgg n TYR 382 Cb 0.30 -0.65 -0.03 0.00 -0.02 0.00 0.00 39.34 38.94 2jgg n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jgg s THR 383 N -3.09 3.34 -0.61 -0.72 2.01 0.03 -4.86 115.64 111.74 2jgg s THR 383 Ca 0.10 1.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.89 2jgg s THR 383 Cb 0.15 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 69.05 2jgg s THR 383 CO 0.64 0.12 1.00 -0.62 -0.69 0.00 0.00 174.62 175.07 2jgg s ASP 384 N 0.69 6.26 0.00 3.53 -1.08 -1.26 -4.93 116.67 119.89 2jgg s ASP 384 Ca 0.60 -0.57 0.13 0.00 -0.52 0.00 0.00 52.55 52.19 2jgg s ASP 384 Cb -0.36 -2.45 0.58 0.00 -1.46 0.00 0.00 42.92 39.24 2jgg s ASP 384 CO 0.34 -1.38 1.41 0.79 0.52 0.00 0.00 175.17 176.86 2jgg n TRP 385 N 7.79 0.00 0.06 -5.34 7.02 -1.26 -1.23 117.44 124.48 2jgg n TRP 385 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 2jgg n TRP 385 Cb 0.47 -0.47 -0.01 0.00 -2.42 0.00 0.00 31.31 28.88 2jgg n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2jgg h LEU 386 N 0.00 0.46 -5.96 -0.99 3.38 -2.04 -3.37 115.31 106.79 2jgg h LEU 386 Ca 0.00 -0.35 -0.56 0.00 0.09 0.00 0.00 57.88 57.07 2jgg h LEU 386 Cb 0.21 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 40.42 2jgg h LEU 386 CO 0.00 1.12 -0.94 1.41 0.09 0.00 0.00 178.44 180.12 2jgg n HIS 387 N -3.77 1.28 0.30 1.13 8.25 -0.37 -4.99 115.22 117.06 2jgg n HIS 387 Ca -0.05 -3.82 0.17 0.00 -0.26 0.00 0.00 57.72 53.76 2jgg n HIS 387 Cb 0.78 -0.43 0.82 0.00 1.12 0.00 0.00 29.99 32.27 2jgg n HIS 387 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jgg h PRO 388 N 3.70 0.00 0.00 -0.41 0.13 -1.61 -3.00 132.00 130.81 2jgg h PRO 388 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2jgg h PRO 388 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2jgg h PRO 388 CO 0.61 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 2jgg n GLU 389 N -2.81 1.23 -1.84 0.86 1.02 -1.26 -4.86 120.64 112.98 2jgg n GLU 389 Ca -0.01 -1.02 -0.42 0.00 -0.02 0.00 0.00 57.16 55.69 2jgg n GLU 389 Cb 0.17 -0.96 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 2jgg n GLU 389 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jgg s ASP 390 N -0.54 6.54 0.18 1.62 2.15 -1.13 -4.72 116.67 120.77 2jgg s ASP 390 Ca 0.00 2.54 -0.10 0.00 0.43 0.00 0.00 52.55 55.42 2jgg s ASP 390 Cb 0.00 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 40.14 2jgg s ASP 390 CO 0.00 -0.96 1.68 -0.65 -0.17 0.00 0.00 175.17 175.07 2jgg h PRO 391 N 9.10 0.99 -0.55 4.34 0.11 -1.92 -2.51 132.00 141.55 2jgg h PRO 391 Ca -0.44 -0.25 0.10 0.00 0.11 0.00 0.00 66.00 65.52 2jgg h PRO 391 Cb 1.21 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 2jgg h PRO 391 CO 0.94 0.92 0.11 1.15 -0.21 0.00 0.00 178.00 180.91 2jgg h THR 392 N 0.90 0.67 -0.19 -1.15 2.02 -1.91 0.39 112.91 113.65 2jgg h THR 392 Ca 0.19 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 2jgg h THR 392 Cb 0.39 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2jgg h THR 392 CO 0.01 0.04 0.06 0.45 0.37 0.00 0.00 175.52 176.45 2jgg h HIS 393 N 0.25 0.31 -0.62 3.16 3.86 -1.91 -1.39 115.15 118.81 2jgg h HIS 393 Ca 0.28 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2jgg h HIS 393 Cb 0.40 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 2jgg h HIS 393 CO -0.24 0.40 0.40 -0.07 0.86 0.00 0.00 177.93 179.28 2jgg h LEU 394 N 0.13 0.73 -0.02 2.43 3.38 -1.00 0.15 115.31 121.11 2jgg h LEU 394 Ca 0.06 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2jgg h LEU 394 Cb 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2jgg h LEU 394 CO -0.00 0.54 -0.16 -0.09 0.09 0.00 0.00 178.44 178.82 2jgg h ARG 395 N 0.84 -0.25 -0.43 1.13 1.12 -0.84 -1.36 114.38 114.60 2jgg h ARG 395 Ca 0.23 0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 59.05 2jgg h ARG 395 Cb -0.07 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 29.93 2jgg h ARG 395 CO -0.05 -0.17 -0.00 -0.44 -3.11 0.00 0.00 179.97 176.20 2jgg h ASP 396 N -0.26 0.66 -0.59 -3.80 3.32 -0.55 -1.88 116.42 113.32 2jgg h ASP 396 Ca 0.06 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2jgg h ASP 396 Cb 0.33 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2jgg h ASP 396 CO -0.17 0.73 0.37 0.00 -1.72 0.00 0.00 179.24 178.45 2jgg h ALA 397 N 1.35 0.75 -0.27 3.45 0.00 -0.61 -0.99 119.26 122.93 2jgg h ALA 397 Ca 0.13 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jgg h ALA 397 Cb 0.41 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2jgg h ALA 397 CO 0.02 0.21 0.06 1.98 0.00 0.00 0.00 179.25 181.52 2jgg h MET 398 N 0.79 0.16 -0.32 0.00 -1.53 -0.46 0.93 114.93 114.51 2jgg h MET 398 Ca 0.21 -0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.52 2jgg h MET 398 Cb -0.04 -0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 30.92 2jgg h MET 398 CO -0.04 0.11 -0.05 1.03 0.14 0.00 0.00 176.91 178.10 2jgg h SER 399 N 0.16 -0.23 -0.31 1.39 0.87 -1.29 -2.29 113.55 111.86 2jgg h SER 399 Ca 0.12 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2jgg h SER 399 Cb 0.12 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2jgg h SER 399 CO -0.16 -0.07 0.13 0.00 -0.53 0.00 0.00 176.83 176.19 2jgg h ALA 400 N 1.30 0.40 -0.46 6.23 0.00 -0.05 0.40 119.26 127.08 2jgg h ALA 400 Ca 0.15 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2jgg h ALA 400 Cb 0.22 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 2jgg h ALA 400 CO -0.30 -0.01 -0.12 0.28 0.00 0.00 0.00 179.25 179.10 2jgg h VAL 401 N 0.35 0.53 -0.35 0.00 2.07 1.00 0.21 116.25 120.05 2jgg h VAL 401 Ca 0.10 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 2jgg h VAL 401 Cb 0.17 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2jgg h VAL 401 CO -0.01 0.00 -0.14 0.58 0.02 0.00 0.00 177.57 178.02 2jgg h VAL 402 N -0.01 1.28 -0.41 2.57 2.07 -1.05 -1.87 116.25 118.83 2jgg h VAL 402 Ca 0.22 -1.25 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 2jgg h VAL 402 Cb 0.35 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2jgg h VAL 402 CO -0.48 0.41 -0.16 1.23 0.02 0.00 0.00 177.57 178.60 2jgg h GLY 403 N 0.50 0.91 0.71 2.17 0.00 -0.50 -2.05 103.07 104.80 2jgg h GLY 403 Ca 0.08 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 2jgg h GLY 403 CO 0.05 0.72 -0.12 -0.55 0.00 0.00 0.00 176.54 176.63 2jgg h ASP 404 N 0.65 0.32 -0.70 0.19 3.32 -0.63 0.95 116.42 120.52 2jgg h ASP 404 Ca 0.10 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 2jgg h ASP 404 Cb 0.70 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2jgg h ASP 404 CO 0.05 0.73 0.31 -0.74 -1.72 0.00 0.00 179.24 177.87 2jgg h HIS 405 N -0.09 1.03 0.00 4.55 2.76 -1.36 -1.56 115.15 120.48 2jgg h HIS 405 Ca 0.02 -0.07 -0.34 0.00 -2.20 0.00 0.00 60.37 57.79 2jgg h HIS 405 Cb 0.64 -0.31 -0.06 0.00 1.55 0.00 0.00 27.41 29.23 2jgg h HIS 405 CO 0.09 0.79 -2.20 0.09 -1.30 0.00 0.00 177.93 175.40 2jgg n ASN 406 N -4.41 0.23 0.06 3.26 3.02 -0.77 -4.58 115.26 112.07 2jgg n ASN 406 Ca 0.05 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2jgg n ASN 406 Cb 0.15 0.75 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 2jgg n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jgg n VAL 407 N -2.81 0.85 0.20 2.41 0.31 0.15 -4.72 118.33 114.72 2jgg n VAL 407 Ca -0.28 0.28 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 2jgg n VAL 407 Cb 1.11 -1.29 -0.07 0.00 -0.91 0.00 0.00 33.84 32.68 2jgg n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jgg h VAL 408 N 0.00 0.55 -0.35 2.52 2.07 -1.12 0.10 116.25 120.03 2jgg h VAL 408 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 2jgg h VAL 408 Cb 0.00 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2jgg h VAL 408 CO 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.29 2jgg h PRO 410 N 0.60 0.50 -0.99 0.00 0.11 -1.70 0.77 132.00 131.28 2jgg h PRO 410 Ca 0.06 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.19 2jgg h PRO 410 Cb 0.87 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.81 2jgg h PRO 410 CO 0.08 0.33 0.65 0.28 -0.21 0.00 0.00 178.00 179.12 2jgg h VAL 411 N 0.51 1.13 -0.41 3.15 2.07 -0.25 0.61 116.25 123.06 2jgg h VAL 411 Ca 0.37 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 2jgg h VAL 411 Cb 0.48 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2jgg h VAL 411 CO -0.33 0.22 -0.02 0.00 0.02 0.00 0.00 177.57 177.46 2jgg h ALA 412 N 1.43 0.56 0.18 1.67 0.00 -0.29 0.01 119.26 122.82 2jgg h ALA 412 Ca 0.41 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jgg h ALA 412 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2jgg h ALA 412 CO -0.15 0.36 -0.41 0.37 0.00 0.00 0.00 179.25 179.42 2jgg h GLN 413 N 0.57 -0.63 -0.49 0.00 5.75 -0.42 -1.17 115.11 118.71 2jgg h GLN 413 Ca 0.11 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.72 2jgg h GLN 413 Cb 0.52 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.15 2jgg h GLN 413 CO 0.03 -0.42 0.18 1.25 -2.65 0.00 0.00 178.83 177.22 2jgg h LEU 414 N -0.65 0.19 -0.61 -2.39 5.85 -0.65 -1.23 115.31 115.82 2jgg h LEU 414 Ca -0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jgg h LEU 414 Cb 0.63 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2jgg h LEU 414 CO -0.18 0.14 0.40 0.00 -0.34 0.00 0.00 178.44 178.46 2jgg h ALA 415 N 1.32 0.77 0.46 1.25 0.00 -0.90 0.24 119.26 122.40 2jgg h ALA 415 Ca 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2jgg h ALA 415 Cb 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jgg h ALA 415 CO -0.23 0.22 -0.25 0.78 0.00 0.00 0.00 179.25 179.76 2jgg h GLY 416 N 0.83 -0.70 0.95 0.00 0.00 -0.61 -1.87 103.07 101.67 2jgg h GLY 416 Ca 0.22 0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.78 2jgg h GLY 416 CO -0.05 -0.26 0.08 3.21 0.00 0.00 0.00 176.54 179.52 2jgg h ARG 417 N -0.67 0.72 -0.56 4.80 2.47 -0.99 -0.63 114.38 119.52 2jgg h ARG 417 Ca -0.06 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.46 2jgg h ARG 417 Cb 0.53 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.74 2jgg h ARG 417 CO 0.08 0.74 0.28 -0.07 0.56 0.00 0.00 179.97 181.56 2jgg h LEU 418 N 0.58 0.70 -0.02 3.04 3.38 -0.94 -0.97 115.31 121.08 2jgg h LEU 418 Ca 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2jgg h LEU 418 Cb 0.37 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2jgg h LEU 418 CO 0.01 0.58 -0.12 0.00 0.09 0.00 0.00 178.44 179.00 2jgg h ALA 419 N 1.53 0.04 -0.94 1.53 0.00 -1.07 0.79 119.26 121.14 2jgg h ALA 419 Ca 0.20 -0.39 0.17 0.00 0.00 0.00 0.00 54.91 54.89 2jgg h ALA 419 Cb 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 2jgg h ALA 419 CO -0.03 -0.03 0.53 0.00 0.00 0.00 0.00 179.25 179.73 2jgg h ALA 420 N 0.33 1.50 -0.97 0.00 0.00 -0.94 -1.99 119.26 117.20 2jgg h ALA 420 Ca -0.01 0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.41 2jgg h ALA 420 Cb 0.81 -0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.25 2jgg h ALA 420 CO 0.02 -0.06 0.69 1.04 0.00 0.00 0.00 179.25 180.94 2jgg n GLN 421 N -4.81 2.44 0.00 0.00 6.02 -0.38 -4.94 117.38 115.71 2jgg n GLN 421 Ca 0.21 -3.15 0.00 0.00 -0.01 0.00 0.00 57.00 54.04 2jgg n GLN 421 Cb 0.51 -2.21 0.00 0.00 1.02 0.00 0.00 30.24 29.56 2jgg n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jgg n GLY 422 N -1.05 1.55 3.78 1.08 0.00 -0.75 -2.23 105.19 107.58 2jgg n GLY 422 Ca 0.60 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.29 2jgg n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgg s ALA 423 N -2.39 2.52 -0.26 4.61 0.00 0.26 -4.38 121.76 122.13 2jgg s ALA 423 Ca 0.00 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 2jgg s ALA 423 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 2jgg s ALA 423 CO 0.00 -1.25 0.20 0.50 0.00 0.00 0.00 175.76 175.22 2jgg s ARG 424 N -4.34 4.02 -0.02 0.00 3.52 -0.51 -4.35 118.95 117.27 2jgg s ARG 424 Ca 0.64 -0.25 0.06 0.00 -0.13 0.00 0.00 55.73 56.06 2jgg s ARG 424 Cb -0.18 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2jgg s ARG 424 CO 0.44 -0.08 -0.21 0.08 -0.81 0.00 0.00 175.30 174.72 2jgg s VAL 425 N 1.47 1.66 -0.09 7.11 1.01 -1.26 -0.87 120.40 129.44 2jgg s VAL 425 Ca 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2jgg s VAL 425 Cb -0.15 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2jgg s VAL 425 CO 0.08 0.47 -0.07 -0.31 0.00 0.00 0.00 175.10 175.27 2jgg s TYR 426 N -0.46 1.28 0.18 5.22 1.51 -0.33 0.11 117.35 124.86 2jgg s TYR 426 Ca 0.07 -0.55 0.11 0.00 -1.01 0.00 0.00 57.07 55.70 2jgg s TYR 426 Cb -0.08 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 2jgg s TYR 426 CO -0.01 -0.39 -0.25 0.00 -1.11 0.00 0.00 175.55 173.80 2jgg s ALA 427 N 1.39 2.48 0.15 3.71 0.00 -1.26 -0.64 121.76 127.59 2jgg s ALA 427 Ca -0.02 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.34 2jgg s ALA 427 Cb -0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2jgg s ALA 427 CO -0.04 0.45 0.06 1.52 0.00 0.00 0.00 175.76 177.76 2jgg s TYR 428 N -1.52 0.95 -0.07 0.00 -0.85 -0.51 -1.78 117.35 113.57 2jgg s TYR 428 Ca 0.19 -1.24 0.01 0.00 -0.52 0.00 0.00 57.07 55.51 2jgg s TYR 428 Cb -0.08 -0.52 0.02 0.00 0.38 0.00 0.00 41.96 41.76 2jgg s TYR 428 CO 0.09 -0.51 -0.08 -1.50 -1.52 0.00 0.00 175.55 172.02 2jgg s ILE 429 N -4.03 0.91 -0.26 -3.49 2.07 -0.08 -2.53 121.20 113.78 2jgg s ILE 429 Ca 0.27 -0.31 -0.14 0.00 -1.41 0.00 0.00 60.65 59.06 2jgg s ILE 429 Cb 0.07 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 2jgg s ILE 429 CO 0.04 0.32 0.35 0.12 -1.91 0.00 0.00 174.94 173.85 2jgg s PHE 430 N 1.04 3.25 -0.05 3.50 2.19 0.07 -0.21 117.98 127.78 2jgg s PHE 430 Ca -0.08 0.39 0.07 0.00 0.33 0.00 0.00 56.93 57.64 2jgg s PHE 430 Cb -0.14 -2.54 0.11 0.00 -1.31 0.00 0.00 43.02 39.13 2jgg s PHE 430 CO -0.00 -0.20 0.98 0.39 1.83 0.00 0.00 175.22 178.22 2jgg n GLU 431 N 5.21 1.36 -3.33 10.12 1.02 -0.03 -1.06 120.64 133.93 2jgg n GLU 431 Ca -0.09 -1.65 -0.40 0.00 -0.02 0.00 0.00 57.16 55.00 2jgg n GLU 431 Cb 0.51 -1.01 -0.09 0.00 -0.02 0.00 0.00 31.44 30.83 2jgg n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jgg s HIS 432 N -1.34 3.22 -0.27 -0.32 2.46 -1.25 -4.94 115.29 112.85 2jgg s HIS 432 Ca 0.12 0.29 -0.26 0.00 0.47 0.00 0.00 55.06 55.67 2jgg s HIS 432 Cb 0.10 -2.72 0.00 0.00 -0.13 0.00 0.00 32.58 29.84 2jgg s HIS 432 CO 0.01 -0.37 0.90 0.50 -2.47 0.00 0.00 174.74 173.32 2jgg s ARG 433 N 2.19 4.13 0.22 2.88 3.52 -1.26 -4.94 118.95 125.68 2jgg s ARG 433 Ca 0.16 0.97 -0.32 0.00 -0.13 0.00 0.00 55.73 56.41 2jgg s ARG 433 Cb -0.16 -3.68 -0.14 0.00 -1.56 0.00 0.00 34.95 29.41 2jgg s ARG 433 CO 0.11 -0.64 1.34 0.00 -0.81 0.00 0.00 175.30 175.30 2jgg n ALA 434 N 6.26 0.55 0.22 6.12 0.00 -1.26 -4.88 120.51 127.51 2jgg n ALA 434 Ca 0.08 0.43 0.05 0.00 0.00 0.00 0.00 53.44 53.99 2jgg n ALA 434 Cb 0.47 -2.20 0.48 0.00 0.00 0.00 0.00 19.45 18.20 2jgg n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jgg h SER 435 N 4.02 0.00 -0.07 0.00 4.64 -1.96 -2.80 113.55 117.37 2jgg h SER 435 Ca -0.44 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2jgg h SER 435 Cb 1.30 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2jgg h SER 435 CO 0.74 0.21 0.00 0.35 -0.87 0.00 0.00 176.83 177.27 2jgg n THR 436 N -4.28 0.09 -2.31 2.95 -2.24 -1.26 -4.96 114.28 102.27 2jgg n THR 436 Ca -0.02 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 2jgg n THR 436 Cb 0.27 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 2jgg n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jgg s LEU 437 N -1.62 4.43 0.00 3.22 2.96 -1.06 -4.94 118.68 121.67 2jgg s LEU 437 Ca 0.31 2.28 0.25 0.00 -0.22 0.00 0.00 54.13 56.75 2jgg s LEU 437 Cb 0.16 -3.60 0.43 0.00 0.50 0.00 0.00 46.19 43.67 2jgg s LEU 437 CO 0.25 -0.45 1.37 0.35 -1.32 0.00 0.00 176.35 176.56 2jgg n THR 438 N 2.74 0.00 -2.61 3.68 -2.24 -1.26 -4.91 114.28 109.68 2jgg n THR 438 Ca 0.06 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 2jgg n THR 438 Cb 0.44 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 2jgg n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jgg s TRP 439 N -2.23 3.47 0.90 4.78 0.52 -1.26 -4.90 118.94 120.22 2jgg s TRP 439 Ca 0.27 1.24 -0.12 0.00 0.02 0.00 0.00 56.10 57.50 2jgg s TRP 439 Cb 0.20 -2.60 0.13 0.00 -1.15 0.00 0.00 33.47 30.04 2jgg s TRP 439 CO 0.42 -0.24 1.11 -1.25 0.02 0.00 0.00 176.95 177.01 2jgg s PRO 440 N -4.01 1.26 0.42 4.98 0.04 -1.26 -4.92 135.00 131.51 2jgg s PRO 440 Ca 0.55 0.50 0.09 0.00 0.04 0.00 0.00 61.00 62.18 2jgg s PRO 440 Cb -0.10 -1.83 0.91 0.00 0.04 0.00 0.00 34.50 33.52 2jgg s PRO 440 CO 0.32 -2.16 2.04 -0.07 0.04 0.00 0.00 177.00 177.17 2jgg h LEU 441 N -1.48 0.34 -1.64 -3.56 3.38 -1.95 -2.58 115.31 107.81 2jgg h LEU 441 Ca -0.50 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2jgg h LEU 441 Cb 1.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2jgg h LEU 441 CO 0.59 0.29 0.00 4.11 0.09 0.00 0.00 178.44 183.53 2jgg h TRP 442 N 0.38 0.00 -0.00 1.13 5.08 -1.92 0.18 115.95 120.80 2jgg h TRP 442 Ca 0.10 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.07 2jgg h TRP 442 Cb 0.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.21 2jgg h TRP 442 CO 0.00 0.00 -0.19 -1.33 -1.28 0.00 0.00 178.44 175.65 2jgg n MET 443 N -2.53 0.35 0.00 0.12 2.81 -0.97 -4.99 117.12 111.91 2jgg n MET 443 Ca -0.01 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2jgg n MET 443 Cb 0.11 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2jgg n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jgg n GLY 444 N 1.39 3.92 3.28 3.03 0.00 0.05 -3.61 105.19 113.24 2jgg n GLY 444 Ca 0.10 0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 2jgg n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgg s VAL 445 N 0.00 5.06 0.63 1.61 1.01 -1.26 -4.86 120.40 122.59 2jgg s VAL 445 Ca 0.00 -2.24 -0.13 0.00 0.00 0.00 0.00 61.98 59.62 2jgg s VAL 445 Cb 0.00 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2jgg s VAL 445 CO 0.00 -0.94 1.04 -2.84 0.00 0.00 0.00 175.10 172.36 2jgg s PRO 446 N 0.61 3.36 0.13 2.72 0.02 -1.24 -1.33 135.00 139.27 2jgg s PRO 446 Ca 0.13 0.93 -0.34 0.00 0.02 0.00 0.00 61.00 61.73 2jgg s PRO 446 Cb -0.18 -2.05 -0.14 0.00 0.02 0.00 0.00 34.50 32.15 2jgg s PRO 446 CO -0.04 -0.76 1.55 1.58 -0.33 0.00 0.00 177.00 179.00 2jgg n HIS 447 N -2.60 2.13 0.00 6.54 -0.00 -1.25 -2.38 115.22 117.65 2jgg n HIS 447 Ca 0.07 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.12 2jgg n HIS 447 Cb 0.54 -2.51 0.00 0.00 -0.00 0.00 0.00 29.99 28.02 2jgg n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jgg n GLY 448 N 3.31 2.53 0.94 1.57 0.00 -1.26 -4.96 105.19 107.32 2jgg n GLY 448 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 2jgg n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jgg n TYR 449 N -1.88 0.77 0.03 1.61 4.02 -1.00 -3.15 117.16 117.56 2jgg n TYR 449 Ca 0.00 -0.30 0.07 0.00 -0.01 0.00 0.00 57.90 57.66 2jgg n TYR 449 Cb 0.00 -0.16 -0.09 0.00 -0.02 0.00 0.00 39.34 39.06 2jgg n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2jgg n GLU 450 N 0.42 0.64 0.02 -0.72 0.00 -1.26 -4.57 120.64 115.16 2jgg n GLU 450 Ca 0.13 0.01 -0.10 0.00 0.00 0.00 0.00 57.16 57.20 2jgg n GLU 450 Cb 0.52 -1.68 -0.04 0.00 0.00 0.00 0.00 31.44 30.24 2jgg n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jgg h ILE 451 N 0.00 0.68 -0.24 3.84 2.04 -1.92 -1.11 117.51 120.81 2jgg h ILE 451 Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.85 2jgg h ILE 451 Cb 1.22 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2jgg h ILE 451 CO 0.01 0.00 0.30 1.05 0.00 0.00 0.00 178.15 179.52 2jgg h GLU 452 N -0.16 0.00 0.00 2.37 4.11 -1.80 0.13 114.58 119.22 2jgg h GLU 452 Ca 0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.48 2jgg h GLU 452 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jgg h GLU 452 CO -0.18 0.00 -0.10 0.74 0.07 0.00 0.00 179.01 179.54 2jgg h PHE 453 N 0.00 0.00 -0.94 2.06 0.04 -1.50 -0.78 116.94 115.82 2jgg h PHE 453 Ca 0.11 0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.02 2jgg h PHE 453 Cb 0.72 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.79 2jgg h PHE 453 CO 0.00 1.00 0.60 0.82 -0.60 0.00 0.00 178.31 180.13 2jgg h ILE 454 N -1.00 0.86 0.00 -0.55 1.08 -0.71 -1.91 117.51 115.27 2jgg h ILE 454 Ca -0.03 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2jgg h ILE 454 Cb 0.99 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 2jgg h ILE 454 CO -0.02 0.15 -0.04 -0.26 -0.69 0.00 0.00 178.15 177.29 2jgg h PHE 455 N 0.81 0.00 0.00 1.37 -1.00 -0.90 -3.41 116.94 113.81 2jgg h PHE 455 Ca 0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.25 2jgg h PHE 455 Cb 0.65 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.21 2jgg h PHE 455 CO -0.00 0.04 0.00 0.41 -1.61 0.00 0.00 178.31 177.15 2jgg n GLY 456 N 0.69 1.77 0.15 -1.45 0.00 -0.72 -4.00 105.19 101.63 2jgg n GLY 456 Ca 0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2jgg n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jgg h LEU 457 N 0.00 0.38 0.00 0.99 4.07 -1.35 -2.42 115.31 116.98 2jgg h LEU 457 Ca 0.00 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2jgg h LEU 457 Cb 0.09 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.72 2jgg h LEU 457 CO 0.00 1.06 0.03 -2.65 -1.08 0.00 0.00 178.44 175.80 2jgg n PRO 458 N -3.74 0.00 0.18 1.13 -0.02 -1.26 -1.49 135.00 129.80 2jgg n PRO 458 Ca -0.05 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 2jgg n PRO 458 Cb 0.78 -1.53 0.28 0.00 -0.02 0.00 0.00 33.50 33.01 2jgg n PRO 458 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jgg h LEU 459 N 0.00 0.00 -8.72 2.45 4.07 -1.75 -3.42 115.31 107.94 2jgg h LEU 459 Ca 0.00 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.38 2jgg h LEU 459 Cb 0.05 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.71 2jgg h LEU 459 CO 0.00 0.00 0.80 -0.62 -1.08 0.00 0.00 178.44 177.54 2jgg s ASP 460 N -5.58 6.60 0.38 -0.43 -1.08 -0.56 -4.80 116.67 111.20 2jgg s ASP 460 Ca 0.08 0.38 0.17 0.00 -0.52 0.00 0.00 52.55 52.66 2jgg s ASP 460 Cb 0.08 -2.51 0.73 0.00 -1.46 0.00 0.00 42.92 39.75 2jgg s ASP 460 CO 0.63 -1.15 1.77 -0.65 0.52 0.00 0.00 175.17 176.29 2jgg h PRO 461 N 9.10 0.00 0.00 4.34 0.11 -1.86 -2.21 132.00 141.47 2jgg h PRO 461 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2jgg h PRO 461 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jgg h PRO 461 CO 1.08 0.38 0.00 -1.13 -0.21 0.00 0.00 178.00 178.13 2jgg n SER 462 N -3.69 0.00 -0.04 -2.05 3.41 -1.26 -2.70 113.62 107.29 2jgg n SER 462 Ca -0.01 0.26 0.13 0.00 -0.26 0.00 0.00 58.87 58.99 2jgg n SER 462 Cb 0.47 -0.38 0.37 0.00 -0.26 0.00 0.00 64.21 64.42 2jgg n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgg n LEU 463 N -1.38 0.48 -0.67 1.04 4.77 -0.83 -4.94 117.00 115.46 2jgg n LEU 463 Ca 0.05 0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 2jgg n LEU 463 Cb 0.13 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2jgg n LEU 463 CO 0.12 0.11 -0.08 0.59 -1.33 0.00 0.00 177.39 176.80 2jgg n ASN 464 N -1.33 -3.32 -4.79 -1.43 3.02 -1.10 -5.00 115.26 101.31 2jgg n ASN 464 Ca 0.08 0.09 -0.34 0.00 -0.03 0.00 0.00 54.58 54.38 2jgg n ASN 464 Cb 0.33 -2.00 -0.01 0.00 -0.61 0.00 0.00 39.78 37.49 2jgg n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jgg s TYR 465 N -2.31 2.93 0.88 3.10 2.02 -1.26 -4.87 117.35 117.83 2jgg s TYR 465 Ca 0.00 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.13 2jgg s TYR 465 Cb 0.00 -3.08 0.12 0.00 -0.40 0.00 0.00 41.96 38.60 2jgg s TYR 465 CO 0.00 -1.11 1.09 0.95 -1.57 0.00 0.00 175.55 174.92 2jgg s THR 466 N -2.18 2.75 0.21 -0.71 -4.23 -1.26 -4.87 115.64 105.35 2jgg s THR 466 Ca 0.66 0.24 0.20 0.00 -1.18 0.00 0.00 61.69 61.61 2jgg s THR 466 Cb -0.17 -2.64 0.16 0.00 1.34 0.00 0.00 72.50 71.18 2jgg s THR 466 CO 0.29 -0.32 1.78 0.00 -0.54 0.00 0.00 174.62 175.84 2jgg h THR 467 N -1.53 0.85 -0.15 3.99 1.03 -1.97 -2.34 112.91 112.79 2jgg h THR 467 Ca -0.47 -1.37 -0.17 0.00 -0.01 0.00 0.00 66.41 64.39 2jgg h THR 467 Cb 1.27 1.84 -0.01 0.00 -1.07 0.00 0.00 68.15 70.18 2jgg h THR 467 CO 0.51 0.33 -0.61 -0.33 -0.01 0.00 0.00 175.52 175.41 2jgg h GLU 468 N 0.00 0.51 -0.66 0.00 3.07 -2.00 -2.92 114.58 112.58 2jgg h GLU 468 Ca -0.00 -0.35 -0.07 0.00 -0.50 0.00 0.00 59.36 58.44 2jgg h GLU 468 Cb 0.81 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.75 2jgg h GLU 468 CO 0.04 0.97 0.14 0.93 -1.40 0.00 0.00 179.01 179.69 2jgg h GLU 469 N 0.38 1.06 -0.93 2.33 5.08 -1.83 -1.29 114.58 119.37 2jgg h GLU 469 Ca -0.01 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2jgg h GLU 469 Cb 1.17 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 2jgg h GLU 469 CO 0.11 0.95 0.60 -0.09 -1.00 0.00 0.00 179.01 179.58 2jgg h ARG 470 N 1.00 1.10 -0.13 2.33 1.12 -1.31 -0.33 114.38 118.17 2jgg h ARG 470 Ca 0.21 -0.07 -0.18 0.00 -1.11 0.00 0.00 59.98 58.83 2jgg h ARG 470 Cb 0.38 -0.25 -0.00 0.00 -0.01 0.00 0.00 29.97 30.09 2jgg h ARG 470 CO 0.01 0.73 -0.65 0.82 -3.11 0.00 0.00 179.97 177.76 2jgg h ILE 471 N 1.13 1.35 -0.52 1.20 2.04 -1.27 -2.83 117.51 118.60 2jgg h ILE 471 Ca 0.39 -1.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.22 2jgg h ILE 471 Cb 0.08 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2jgg h ILE 471 CO -0.15 0.60 0.14 0.15 0.00 0.00 0.00 178.15 178.90 2jgg h PHE 472 N 0.35 0.87 -0.65 1.37 3.57 -0.87 -2.24 116.94 119.34 2jgg h PHE 472 Ca -0.02 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 2jgg h PHE 472 Cb 1.21 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 2jgg h PHE 472 CO 0.05 0.76 0.34 0.00 -2.23 0.00 0.00 178.31 177.22 2jgg h ALA 473 N 1.01 1.37 -0.05 2.41 0.00 -0.99 -1.66 119.26 121.35 2jgg h ALA 473 Ca 0.17 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2jgg h ALA 473 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jgg h ALA 473 CO -0.00 0.51 -0.64 1.96 0.00 0.00 0.00 179.25 181.07 2jgg h GLN 474 N 0.91 0.20 -0.22 0.00 4.20 -1.24 -0.16 115.11 118.80 2jgg h GLN 474 Ca 0.23 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2jgg h GLN 474 Cb 0.05 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2jgg h GLN 474 CO -0.03 0.77 0.00 -0.09 -0.67 0.00 0.00 178.83 178.81 2jgg h ARG 475 N 0.14 0.38 -0.27 1.46 2.43 -0.89 -2.16 114.38 115.47 2jgg h ARG 475 Ca -0.01 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 2jgg h ARG 475 Cb 1.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2jgg h ARG 475 CO 0.10 0.57 -0.40 -0.07 -1.51 0.00 0.00 179.97 178.65 2jgg h LEU 476 N 0.15 0.70 -1.29 3.80 3.38 -0.93 -0.89 115.31 120.23 2jgg h LEU 476 Ca 0.06 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2jgg h LEU 476 Cb 0.39 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2jgg h LEU 476 CO 0.01 1.02 0.50 0.24 0.09 0.00 0.00 178.44 180.29 2jgg h MET 477 N 0.54 0.92 -0.40 1.13 2.86 -1.02 -1.22 114.93 117.74 2jgg h MET 477 Ca 0.04 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 2jgg h MET 477 Cb 0.93 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 2jgg h MET 477 CO 0.08 0.61 -0.16 0.87 1.06 0.00 0.00 176.91 179.37 2jgg h LYS 478 N 0.94 0.80 0.11 1.72 1.79 -0.58 -1.87 116.57 119.48 2jgg h LYS 478 Ca 0.29 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2jgg h LYS 478 Cb 0.01 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2jgg h LYS 478 CO -0.08 0.96 -0.05 1.88 -1.08 0.00 0.00 179.45 181.08 2jgg h TYR 479 N 0.61 -0.14 -0.63 -1.35 0.05 -0.43 0.12 116.97 115.21 2jgg h TYR 479 Ca 0.09 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 2jgg h TYR 479 Cb 0.70 0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 2jgg h TYR 479 CO 0.05 0.01 0.31 -1.49 -1.05 0.00 0.00 178.16 175.99 2jgg h TRP 480 N -0.26 0.90 -0.01 4.88 -0.00 -1.25 0.48 115.95 120.69 2jgg h TRP 480 Ca -0.02 -0.04 -0.18 0.00 -0.00 0.00 0.00 58.89 58.65 2jgg h TRP 480 Cb 0.21 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.08 2jgg h TRP 480 CO -0.03 0.68 -0.82 1.79 -0.00 0.00 0.00 178.44 180.05 2jgg h THR 481 N 0.86 1.49 -0.18 1.49 1.35 -1.36 0.11 112.91 116.67 2jgg h THR 481 Ca 0.22 -2.53 -0.02 0.00 -0.55 0.00 0.00 66.41 63.53 2jgg h THR 481 Cb 0.11 2.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 2jgg h THR 481 CO -0.03 0.73 0.03 0.78 -0.25 0.00 0.00 175.52 176.78 2jgg h ASN 482 N 0.10 0.29 -0.81 5.36 2.35 -0.37 0.42 115.58 122.93 2jgg h ASN 482 Ca -0.03 -0.27 0.10 0.00 -0.55 0.00 0.00 56.30 55.55 2jgg h ASN 482 Cb 1.42 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 39.64 2jgg h ASN 482 CO 0.12 0.48 0.44 0.15 -1.65 0.00 0.00 177.43 176.98 2jgg h PHE 483 N 0.09 0.80 -0.47 1.19 3.57 0.06 -1.68 116.94 120.49 2jgg h PHE 483 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2jgg h PHE 483 Cb 0.32 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2jgg h PHE 483 CO 0.02 0.30 0.24 0.00 -2.23 0.00 0.00 178.31 176.64 2jgg h ALA 484 N 1.47 0.61 -0.37 2.41 0.00 -0.37 0.55 119.26 123.55 2jgg h ALA 484 Ca 0.40 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2jgg h ALA 484 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2jgg h ALA 484 CO -0.27 0.15 -0.17 0.00 0.00 0.00 0.00 179.25 178.96 2jgg h ARG 485 N 0.62 0.70 0.00 0.00 3.08 -0.35 -3.39 114.38 115.03 2jgg h ARG 485 Ca 0.16 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2jgg h ARG 485 Cb 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2jgg h ARG 485 CO -0.02 0.83 0.00 0.25 -1.07 0.00 0.00 179.97 179.95 2jgg n THR 486 N -4.14 0.00 -0.97 2.04 -2.24 -0.69 -5.01 114.28 103.27 2jgg n THR 486 Ca 0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2jgg n THR 486 Cb 0.39 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2jgg n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jgg n GLY 487 N 0.15 0.80 2.75 3.38 0.00 0.19 -5.00 105.19 107.47 2jgg n GLY 487 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2jgg n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jgg s ASP 488 N -2.68 2.50 0.00 1.61 -1.08 -1.25 -4.84 116.67 110.93 2jgg s ASP 488 Ca 0.00 -0.59 0.10 0.00 -0.52 0.00 0.00 52.55 51.54 2jgg s ASP 488 Cb 0.00 -0.56 0.50 0.00 -1.46 0.00 0.00 42.92 41.39 2jgg s ASP 488 CO 0.00 -0.27 1.20 -0.81 0.52 0.00 0.00 175.17 175.81 2jgg n PRO 489 N 5.07 0.14 -2.80 4.34 -0.04 -1.26 -3.75 135.00 136.70 2jgg n PRO 489 Ca -0.09 0.19 -0.40 0.00 -0.04 0.00 0.00 63.50 63.16 2jgg n PRO 489 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 2jgg n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jgg s ASN 490 N -2.57 7.55 -0.30 3.54 0.01 -1.26 -4.31 114.94 117.60 2jgg s ASN 490 Ca 0.09 1.83 -0.28 0.00 -0.71 0.00 0.00 52.86 53.79 2jgg s ASN 490 Cb 0.07 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 2jgg s ASN 490 CO 0.15 0.11 1.79 -0.62 -1.51 0.00 0.00 177.10 177.03 2jgg s ASP 491 N -0.86 5.96 0.00 -1.22 -1.08 -1.26 -4.85 116.67 113.36 2jgg s ASP 491 Ca 0.41 1.41 0.30 0.00 -0.52 0.00 0.00 52.55 54.16 2jgg s ASP 491 Cb -0.25 -2.53 1.73 0.00 -1.46 0.00 0.00 42.92 40.42 2jgg s ASP 491 CO 0.30 -1.63 2.12 -0.81 0.52 0.00 0.00 175.17 175.67 2jgg n PRO 492 N 8.31 0.81 -0.08 4.34 -0.04 -1.26 -2.83 135.00 144.24 2jgg n PRO 492 Ca 0.23 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.53 2jgg n PRO 492 Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 2jgg n PRO 492 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jgg n ARG 493 N -1.08 0.39 -1.50 0.54 3.00 -1.26 -4.92 116.66 111.83 2jgg n ARG 493 Ca 0.20 0.17 -0.45 0.00 -0.01 0.00 0.00 57.85 57.76 2jgg n ARG 493 Cb 0.14 -1.17 -0.06 0.00 0.00 0.00 0.00 32.46 31.37 2jgg n ARG 493 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2jgg n ASP 494 N -3.95 2.24 -4.82 0.55 2.03 -1.13 -4.98 116.55 106.49 2jgg n ASP 494 Ca -0.29 0.17 -0.33 0.00 0.52 0.00 0.00 54.79 54.85 2jgg n ASP 494 Cb 0.65 -1.36 -0.07 0.00 -0.72 0.00 0.00 41.12 39.62 2jgg n ASP 494 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2jgg s SER 495 N 8.65 6.94 0.12 1.67 0.15 -1.26 -4.75 113.70 125.21 2jgg s SER 495 Ca 1.08 1.68 0.00 0.00 0.70 0.00 0.00 55.95 59.41 2jgg s SER 495 Cb -0.65 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.12 2jgg s SER 495 CO 0.42 -0.36 0.00 1.17 1.20 0.00 0.00 173.24 175.67 2jgg n LYS 496 N -0.63 -3.28 0.00 5.44 3.00 -1.26 -5.10 118.16 116.32 2jgg n LYS 496 Ca 0.07 2.53 0.00 0.00 -0.00 0.00 0.00 58.31 60.91 2jgg n LYS 496 Cb 0.54 -2.50 0.00 0.00 0.00 0.00 0.00 35.03 33.07 2jgg n LYS 496 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2jgg n SER 497 N 1.12 0.00 -3.28 3.14 3.41 -1.26 -4.98 113.62 111.76 2jgg n SER 497 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 2jgg n SER 497 Cb 0.00 0.01 0.19 0.00 -0.26 0.00 0.00 64.21 64.15 2jgg n SER 497 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2jgg n PRO 498 N -1.66 -2.79 -2.43 4.33 -0.04 -1.26 -4.28 135.00 126.87 2jgg n PRO 498 Ca 0.00 -1.30 -0.31 0.00 -0.04 0.00 0.00 63.50 61.85 2jgg n PRO 498 Cb 0.00 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.18 2jgg n PRO 498 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2jgg s GLN 499 N -4.85 3.76 -0.48 0.54 -1.52 -1.26 -4.86 119.66 111.00 2jgg s GLN 499 Ca 0.53 0.67 -0.23 0.00 -1.95 0.00 0.00 55.36 54.38 2jgg s GLN 499 Cb -0.06 -2.23 0.03 0.00 -0.22 0.00 0.00 33.01 30.54 2jgg s GLN 499 CO 0.41 -0.27 0.83 -0.46 -0.25 0.00 0.00 175.29 175.56 2jgg s TRP 500 N -2.70 2.94 0.50 0.91 -0.11 -1.26 -4.95 118.94 114.26 2jgg s TRP 500 Ca 0.54 0.11 -0.17 0.00 1.22 0.00 0.00 56.10 57.80 2jgg s TRP 500 Cb -0.10 -3.79 -0.08 0.00 -1.50 0.00 0.00 33.47 27.99 2jgg s TRP 500 CO 0.39 -1.09 0.98 -1.25 -4.62 0.00 0.00 176.95 171.35 2jgg s PRO 501 N 3.47 3.99 0.37 5.86 0.04 -1.26 -4.92 135.00 142.54 2jgg s PRO 501 Ca 0.30 1.00 -0.28 0.00 0.04 0.00 0.00 61.00 62.05 2jgg s PRO 501 Cb -0.12 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 32.17 2jgg s PRO 501 CO 0.22 -0.24 1.48 -2.14 0.04 0.00 0.00 177.00 176.36 2jgg s PRO 502 N -3.90 4.13 0.01 0.56 0.02 -1.26 -4.65 135.00 129.91 2jgg s PRO 502 Ca 0.60 2.55 -0.30 0.00 0.02 0.00 0.00 61.00 63.86 2jgg s PRO 502 Cb -0.10 -2.98 -0.06 0.00 0.02 0.00 0.00 34.50 31.39 2jgg s PRO 502 CO 0.28 -0.52 1.39 -0.47 -0.33 0.00 0.00 177.00 177.35 2jgg s TYR 503 N -1.06 2.91 0.16 6.54 6.14 0.31 -4.56 117.35 127.79 2jgg s TYR 503 Ca 0.53 0.85 0.06 0.00 0.64 0.00 0.00 57.07 59.15 2jgg s TYR 503 Cb -0.46 -3.66 -0.04 0.00 0.42 0.00 0.00 41.96 38.22 2jgg s TYR 503 CO 0.62 -2.40 -0.12 0.95 0.64 0.00 0.00 175.55 175.23 2jgg s THR 504 N 2.23 1.37 0.06 4.34 -4.23 -1.26 -4.33 115.64 113.82 2jgg s THR 504 Ca 0.64 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.27 2jgg s THR 504 Cb -0.32 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 2jgg s THR 504 CO 0.27 -0.61 1.49 0.71 -0.54 0.00 0.00 174.62 175.94 2jgg h THR 505 N 2.93 1.20 0.00 3.99 1.35 -1.92 0.47 112.91 120.92 2jgg h THR 505 Ca -0.38 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 2jgg h THR 505 Cb 1.20 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 2jgg h THR 505 CO 0.59 0.62 0.00 0.00 -0.25 0.00 0.00 175.52 176.48 2jgg n ALA 506 N -2.31 -0.48 0.12 6.62 0.00 -1.26 -4.26 120.51 118.95 2jgg n ALA 506 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2jgg n ALA 506 Cb 0.72 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.18 2jgg n ALA 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jgg h ALA 507 N -2.00 0.61 -5.85 0.00 0.00 -1.97 -3.48 119.26 106.58 2jgg h ALA 507 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 54.91 53.91 2jgg h ALA 507 Cb 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 2jgg h ALA 507 CO 0.00 0.78 -0.66 1.04 0.00 0.00 0.00 179.25 180.42 2jgg n GLN 508 N -3.29 -3.87 -2.83 0.00 6.02 0.16 -4.40 117.38 109.18 2jgg n GLN 508 Ca 0.01 0.50 -0.39 0.00 -0.01 0.00 0.00 57.00 57.11 2jgg n GLN 508 Cb 0.77 -5.26 -0.06 0.00 1.02 0.00 0.00 30.24 26.71 2jgg n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jgg s GLN 509 N -6.31 4.71 0.12 -1.09 -0.21 -1.26 -0.52 119.66 115.09 2jgg s GLN 509 Ca 0.52 1.35 -0.10 0.00 0.02 0.00 0.00 55.36 57.15 2jgg s GLN 509 Cb -0.27 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 30.58 2jgg s GLN 509 CO 0.65 0.48 0.26 1.52 -2.12 0.00 0.00 175.29 176.07 2jgg s TYR 510 N -1.28 0.16 0.23 0.91 1.13 -0.44 -3.74 117.35 114.33 2jgg s TYR 510 Ca 0.42 -0.55 0.08 0.00 -1.41 0.00 0.00 57.07 55.60 2jgg s TYR 510 Cb -0.23 0.00 -0.04 0.00 -1.10 0.00 0.00 41.96 40.59 2jgg s TYR 510 CO 0.28 -0.63 0.06 0.14 -2.51 0.00 0.00 175.55 172.89 2jgg s VAL 511 N -3.88 3.85 -0.16 -3.49 -7.23 -0.73 -0.36 120.40 108.39 2jgg s VAL 511 Ca 0.08 -1.60 -0.13 0.00 -1.81 0.00 0.00 61.98 58.52 2jgg s VAL 511 Cb 0.04 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.90 2jgg s VAL 511 CO -0.08 -0.29 0.25 -0.94 -0.31 0.00 0.00 175.10 173.74 2jgg s SER 512 N -3.50 6.40 -0.32 4.85 1.04 -0.95 -0.90 113.70 120.32 2jgg s SER 512 Ca 0.31 0.47 -0.13 0.00 0.48 0.00 0.00 55.95 57.08 2jgg s SER 512 Cb -0.08 -2.16 -0.03 0.00 0.10 0.00 0.00 66.02 63.86 2jgg s SER 512 CO 0.21 0.15 0.25 -0.76 0.98 0.00 0.00 173.24 174.07 2jgg s LEU 513 N 0.28 4.36 0.00 2.42 1.43 0.71 -4.19 118.68 123.70 2jgg s LEU 513 Ca 0.15 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2jgg s LEU 513 Cb -0.13 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.92 2jgg s LEU 513 CO 0.03 -0.20 0.00 -0.46 0.23 0.00 0.00 176.35 175.95 2jgg n ASN 514 N 5.15 0.00 0.13 2.29 0.23 -1.26 -0.85 115.26 120.94 2jgg n ASN 514 Ca -0.12 -0.86 -0.02 0.00 -0.53 0.00 0.00 54.58 53.05 2jgg n ASN 514 Cb 0.50 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.33 2jgg n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2jgg h LEU 515 N 0.00 0.01-10.32 -4.53 3.38 -1.95 -3.44 115.31 98.46 2jgg h LEU 515 Ca 0.00 -0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2jgg h LEU 515 Cb 0.00 -0.00 0.14 0.00 0.09 0.00 0.00 40.66 40.89 2jgg h LEU 515 CO 0.00 0.67 0.28 -0.54 0.09 0.00 0.00 178.44 178.95 2jgg s LYS 516 N -3.49 1.75 1.12 1.13 1.02 -1.26 -5.02 119.74 115.00 2jgg s LYS 516 Ca -0.01 1.03 -0.13 0.00 0.02 0.00 0.00 55.97 56.88 2jgg s LYS 516 Cb 0.12 -1.85 0.23 0.00 -0.52 0.00 0.00 37.83 35.82 2jgg s LYS 516 CO 0.77 -1.96 0.87 -2.30 -0.92 0.00 0.00 175.35 171.81 2jgg n PRO 517 N -3.72 -1.97 -1.65 -1.68 -0.02 -1.26 -4.91 135.00 119.78 2jgg n PRO 517 Ca 0.08 -0.54 -0.44 0.00 -2.02 0.00 0.00 63.50 60.58 2jgg n PRO 517 Cb 0.54 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 2jgg n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jgg n LEU 518 N -4.25 2.83 -3.99 2.45 4.77 -1.26 -4.90 117.00 112.65 2jgg n LEU 518 Ca 0.04 1.19 -0.25 0.00 -0.03 0.00 0.00 56.01 56.97 2jgg n LEU 518 Cb 0.55 -1.40 -0.17 0.00 -2.33 0.00 0.00 43.42 40.07 2jgg n LEU 518 CO 0.55 -0.83 -0.46 -0.70 -1.33 0.00 0.00 177.39 174.62 2jgg s GLU 519 N -1.58 1.58 -0.23 3.23 2.12 -1.26 -4.54 118.70 118.02 2jgg s GLU 519 Ca 0.58 -0.35 -0.18 0.00 0.36 0.00 0.00 54.97 55.38 2jgg s GLU 519 Cb -0.63 -1.39 -0.03 0.00 0.26 0.00 0.00 34.13 32.33 2jgg s GLU 519 CO 0.60 -0.05 0.50 0.08 -0.54 0.00 0.00 175.26 175.85 2jgg s VAL 520 N 0.92 5.10 0.36 3.70 1.01 -1.26 -2.23 120.40 127.99 2jgg s VAL 520 Ca -0.10 0.88 0.08 0.00 0.00 0.00 0.00 61.98 62.85 2jgg s VAL 520 Cb -0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2jgg s VAL 520 CO 0.01 0.14 0.14 -0.13 0.00 0.00 0.00 175.10 175.26 2jgg s ARG 521 N 1.94 2.31 -0.09 2.72 0.52 0.51 -4.95 118.95 121.91 2jgg s ARG 521 Ca 0.22 -1.63 0.02 0.00 -0.52 0.00 0.00 55.73 53.82 2jgg s ARG 521 Cb -0.15 -2.11 0.01 0.00 0.52 0.00 0.00 34.95 33.22 2jgg s ARG 521 CO 0.09 0.06 -0.14 1.03 0.02 0.00 0.00 175.30 176.36 2jgg s ARG 522 N -3.85 2.02 0.00 3.54 0.52 -1.26 -1.33 118.95 118.58 2jgg s ARG 522 Ca 0.38 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 2jgg s ARG 522 Cb -0.01 -1.67 0.00 0.00 0.52 0.00 0.00 34.95 33.79 2jgg s ARG 522 CO 0.22 0.00 0.00 0.41 0.02 0.00 0.00 175.30 175.96 2jgg n GLY 523 N 3.96 -2.22 3.39 -3.53 0.00 0.32 -4.92 105.19 102.18 2jgg n GLY 523 Ca -0.21 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.60 2jgg n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jgg s LEU 524 N 0.00 5.89 -1.39 0.99 2.96 -1.26 -4.31 118.68 121.56 2jgg s LEU 524 Ca 0.00 -2.39 -0.06 0.00 -0.22 0.00 0.00 54.13 51.46 2jgg s LEU 524 Cb 0.00 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.39 2jgg s LEU 524 CO 0.00 -0.81 0.39 0.54 -1.32 0.00 0.00 176.35 175.15 2jgg n ARG 525 N 5.24 -2.21 -0.09 1.98 5.12 -1.26 -4.73 116.66 120.71 2jgg n ARG 525 Ca 0.19 0.31 -0.06 0.00 -1.93 0.00 0.00 57.85 56.36 2jgg n ARG 525 Cb 0.48 -4.07 0.01 0.00 -1.16 0.00 0.00 32.46 27.72 2jgg n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jgg h ALA 526 N 0.90 0.31 -0.42 7.54 0.00 -1.93 0.33 119.26 125.99 2jgg h ALA 526 Ca -0.65 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2jgg h ALA 526 Cb 1.38 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2jgg h ALA 526 CO 0.62 -0.40 0.18 1.96 0.00 0.00 0.00 179.25 181.61 2jgg h GLN 527 N 0.10 0.62 0.05 0.00 1.08 -1.96 -0.92 115.11 114.08 2jgg h GLN 527 Ca 0.16 -0.11 -0.28 0.00 -1.45 0.00 0.00 58.65 56.98 2jgg h GLN 527 Cb 0.22 -0.10 0.02 0.00 -0.05 0.00 0.00 27.48 27.57 2jgg h GLN 527 CO -0.27 0.56 -1.13 1.15 -0.95 0.00 0.00 178.83 178.19 2jgg h THR 528 N 0.53 1.28 0.00 -0.54 2.02 -1.77 -2.58 112.91 111.85 2jgg h THR 528 Ca 0.14 -2.34 -0.05 0.00 0.77 0.00 0.00 66.41 64.93 2jgg h THR 528 Cb 0.17 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 2jgg h THR 528 CO -0.01 0.72 -0.24 0.00 0.37 0.00 0.00 175.52 176.35 2jgg h ALA 530 N 1.76 1.12 -0.08 0.00 0.00 -0.89 0.57 119.26 121.73 2jgg h ALA 530 Ca -0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jgg h ALA 530 Cb 0.67 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2jgg h ALA 530 CO 0.03 0.60 -0.19 0.35 0.00 0.00 0.00 179.25 180.04 2jgg h PHE 531 N 1.21 -0.50 -0.12 0.00 3.57 -0.95 -0.08 116.94 120.07 2jgg h PHE 531 Ca 0.31 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.64 2jgg h PHE 531 Cb -0.02 0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.97 2jgg h PHE 531 CO 0.00 -0.27 -0.69 -1.49 -2.23 0.00 0.00 178.31 173.63 2jgg h TRP 532 N -0.26 0.92 0.00 0.41 4.06 -0.98 0.82 115.95 120.92 2jgg h TRP 532 Ca 0.08 -0.42 -0.19 0.00 2.06 0.00 0.00 58.89 60.42 2jgg h TRP 532 Cb 0.38 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.37 2jgg h TRP 532 CO -0.28 1.23 -1.44 -0.91 -3.56 0.00 0.00 178.44 173.48 2jgg h ASN 533 N 0.35 0.00 0.00 -3.49 2.35 0.09 -3.38 115.58 111.51 2jgg h ASN 533 Ca -0.05 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.35 2jgg h ASN 533 Cb 1.34 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.65 2jgg h ASN 533 CO 0.14 0.68 -2.18 0.54 -1.65 0.00 0.00 177.43 174.96 2jgg n ARG 534 N -2.94 0.46 0.00 0.81 1.74 -0.07 -4.77 116.66 111.88 2jgg n ARG 534 Ca -0.11 0.19 -0.19 0.00 -0.77 0.00 0.00 57.85 56.97 2jgg n ARG 534 Cb 0.89 -1.27 -0.14 0.00 -1.02 0.00 0.00 32.46 30.91 2jgg n ARG 534 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2jgg n PHE 535 N -3.82 1.22 -0.29 -1.55 7.35 -1.00 -4.23 117.46 115.14 2jgg n PHE 535 Ca -0.41 0.28 -0.04 0.00 -0.76 0.00 0.00 57.45 56.52 2jgg n PHE 535 Cb 0.81 -1.17 0.07 0.00 0.35 0.00 0.00 39.48 39.54 2jgg n PHE 535 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2jgg h LEU 536 N 0.06 0.95 -0.92 -2.13 7.12 -1.01 -2.50 115.31 116.88 2jgg h LEU 536 Ca -0.40 -0.06 0.02 0.00 0.13 0.00 0.00 57.88 57.57 2jgg h LEU 536 Cb 2.03 -0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 41.87 2jgg h LEU 536 CO 0.09 0.73 0.61 -0.65 -0.13 0.00 0.00 178.44 179.08 2jgg h PRO 537 N 1.10 1.19 -0.25 5.25 0.11 -1.76 -2.85 132.00 134.78 2jgg h PRO 537 Ca 0.29 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 2jgg h PRO 537 Cb -0.06 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.77 2jgg h PRO 537 CO -0.06 0.79 0.07 0.87 -0.21 0.00 0.00 178.00 179.46 2jgg h LYS 538 N 1.23 0.39 -0.97 1.05 1.57 -1.67 0.17 116.57 118.34 2jgg h LYS 538 Ca 0.35 -0.09 0.21 0.00 -1.87 0.00 0.00 60.65 59.25 2jgg h LYS 538 Cb -0.10 -0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.04 2jgg h LYS 538 CO -0.09 0.48 0.55 1.25 -0.57 0.00 0.00 179.45 181.06 2jgg h LEU 539 N 0.23 0.63 0.00 2.94 5.85 -1.33 -1.43 115.31 122.21 2jgg h LEU 539 Ca 0.08 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2jgg h LEU 539 Cb 0.25 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2jgg h LEU 539 CO -0.00 0.15 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.18 2jgg h LEU 540 N 0.61 -0.00 -0.84 2.25 3.38 -1.23 -2.63 115.31 116.84 2jgg h LEU 540 Ca 0.59 -0.64 0.21 0.00 0.09 0.00 0.00 57.88 58.13 2jgg h LEU 540 Cb 1.04 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 2jgg h LEU 540 CO -0.45 0.81 0.24 0.77 0.09 0.00 0.00 178.44 179.90 2jgg h SER 541 N -0.99 0.05 0.00 -0.43 4.64 -0.38 -3.32 113.55 113.10 2jgg h SER 541 Ca -0.00 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2jgg h SER 541 Cb 0.64 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2jgg h SER 541 CO 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 2jgg n ALA 542 N -2.67 0.00 -1.99 5.18 0.00 -0.56 -5.09 120.51 115.38 2jgg n ALA 542 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 2jgg n ALA 542 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 2jgg n ALA 542 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jgg n THR 543 N 0.00 -7.13 0.00 0.00 -1.04 -0.99 -5.05 114.28 100.07 2jgg n THR 543 Ca 0.00 1.13 0.00 0.00 -2.04 0.00 0.00 64.05 63.14 2jgg n THR 543 Cb 0.00 -4.95 0.00 0.00 -1.82 0.00 0.00 70.33 63.56 2jgg n THR 543 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43